4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one

C263H402N52O9 — CID 157309674

IUPAC4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one
SMILESCC(C)c1cc2c(cn1)CCCN2C(C)C.CC(C)c1cc2c(cn1)NCCN2C(C)C.CC(C)c1ccc2c(c1)N(C(C)C)CCC2.CC(C)c1ccc2c(c1)N(C(C)C)CCN2.CC(C)c1ccc2c(c1)N(C(C)C)CCO2.CC(C)c1ccc2c(n1)N(C(C)C)CCC2.CC(C)c1ccc2c(n1)N(C(C)C)CCN2.CC(C)c1ccc2c(n1)N(C(C)C)CCO2.CC(C)c1ccc2cnc(=O)n(C(C)C)c2c1.CC(C)c1ccc2cnc(=O)n(C(C)C)c2n1.CC(C)c1cnc2c(c1)N(C(C)C)CCC2.CC(C)c1cnc2c(c1)N(C(C)C)CCO2.CC(C)c1cnc2c(n1)N(C(C)C)CCC2.CC(C)c1cnc2c(n1)N(C(C)C)CCC2.CC(C)c1cnc2c(n1)N(C(C)C)CCN2.CC(C)c1cnc2c(n1)N(C(C)C)CCO2.CC(C)c1cnc2cnc(=O)n(C(C)C)c2c1.CC(C)c1cnc2cnc(=O)n(C(C)C)c2n1.CC(C)c1ncc2c(n1)N(C(C)C)CCN2.CC(C)c1ncc2c(n1)N(C(C)C)CCO2
InChIInChI=1S/C15H23N.C14H18N2O.4C14H22N2.C14H21NO.2C13H17N3O.4C13H21N3.2C13H20N2O.C12H16N4O.2C12H20N4.2C12H19N3O/c1-11(2)14-8-7-13-6-5-9-16(12(3)4)15(13)10-14;1-9(2)11-5-6-12-8-15-14(17)16(10(3)4)13(12)7-11;1-10(2)12-5-6-13-14(9-12)16(11(3)4)8-7-15-13;1-10(2)13-8-7-12-6-5-9-16(11(3)4)14(12)15-13;1-10(2)12-8-14-13(15-9-12)6-5-7-16(14)11(3)4;1-10(2)13-8-14-12(9-15-13)6-5-7-16(14)11(3)4;1-10(2)12-5-6-14-13(9-12)15(11(3)4)7-8-16-14;1-8(2)10-5-12-11(14-6-10)7-15-13(17)16(12)9(3)4;1-8(2)11-6-5-10-7-14-13(17)16(9(3)4)12(10)15-11;1-9(2)11-7-13-12(8-15-11)14-5-6-16(13)10(3)4;1-9(2)11-5-6-12-13(15-11)16(10(3)4)8-7-14-12;2*1-9(2)12-8-14-11-6-5-7-16(10(3)4)13(11)15-12;1-9(2)11-7-12-13(14-8-11)16-6-5-15(12)10(3)4;1-9(2)11-5-6-12-13(14-11)15(10(3)4)7-8-16-12;1-7(2)9-5-13-10-6-14-12(17)16(8(3)4)11(10)15-9;1-8(2)11-14-7-10-12(15-11)16(9(3)4)6-5-13-10;1-8(2)10-7-14-11-12(15-10)16(9(3)4)6-5-13-11;1-8(2)11-13-7-10-12(14-11)15(9(3)4)5-6-16-10;1-8(2)10-7-13-12-11(14-10)15(9(3)4)5-6-16-12/h7-8,10-12H,5-6,9H2,1-4H3;5-10H,1-4H3;5-6,9-11,15H,7-8H2,1-4H3;7-8,10-11H,5-6,9H2,1-4H3;2*8-11H,5-7H2,1-4H3;5-6,9-11H,7-8H2,1-4H3;2*5-9H,1-4H3;7-10,14H,5-6H2,1-4H3;5-6,9-10,14H,7-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-8H,1-4H3;7-9,13H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3,(H,13,14);2*7-9H,5-6H2,1-4H3
InChIKeyBCWWJYCEIBLWPU-UHFFFAOYSA-N
MW4436.46 g/mol
LogP56.65
Rot. Bonds40

About 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one

4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one (PubChem CID 157309674) has the molecular formula C263H402N52O9 and a molecular weight of 4436.46 g/mol. Its IUPAC name is 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one.

Molecular Properties

Compound Name4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one
PubChem CID157309674
Molecular FormulaC263H402N52O9
Molecular Weight4436.46 g/mol
Exact Mass4433.26
IUPAC Name4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one
SMILESCC(C)c1cc2c(cn1)CCCN2C(C)C.CC(C)c1cc2c(cn1)NCCN2C(C)C.CC(C)c1ccc2c(c1)N(C(C)C)CCC2.CC(C)c1ccc2c(c1)N(C(C)C)CCN2.CC(C)c1ccc2c(c1)N(C(C)C)CCO2.CC(C)c1ccc2c(n1)N(C(C)C)CCC2.CC(C)c1ccc2c(n1)N(C(C)C)CCN2.CC(C)c1ccc2c(n1)N(C(C)C)CCO2.CC(C)c1ccc2cnc(=O)n(C(C)C)c2c1.CC(C)c1ccc2cnc(=O)n(C(C)C)c2n1.CC(C)c1cnc2c(c1)N(C(C)C)CCC2.CC(C)c1cnc2c(c1)N(C(C)C)CCO2.CC(C)c1cnc2c(n1)N(C(C)C)CCC2.CC(C)c1cnc2c(n1)N(C(C)C)CCC2.CC(C)c1cnc2c(n1)N(C(C)C)CCN2.CC(C)c1cnc2c(n1)N(C(C)C)CCO2.CC(C)c1cnc2cnc(=O)n(C(C)C)c2c1.CC(C)c1cnc2cnc(=O)n(C(C)C)c2n1.CC(C)c1ncc2c(n1)N(C(C)C)CCN2.CC(C)c1ncc2c(n1)N(C(C)C)CCO2
InChIInChI=1S/C15H23N.C14H18N2O.4C14H22N2.C14H21NO.2C13H17N3O.4C13H21N3.2C13H20N2O.C12H16N4O.2C12H20N4.2C12H19N3O/c1-11(2)14-8-7-13-6-5-9-16(12(3)4)15(13)10-14;1-9(2)11-5-6-12-8-15-14(17)16(10(3)4)13(12)7-11;1-10(2)12-5-6-13-14(9-12)16(11(3)4)8-7-15-13;1-10(2)13-8-7-12-6-5-9-16(11(3)4)14(12)15-13;1-10(2)12-8-14-13(15-9-12)6-5-7-16(14)11(3)4;1-10(2)13-8-14-12(9-15-13)6-5-7-16(14)11(3)4;1-10(2)12-5-6-14-13(9-12)15(11(3)4)7-8-16-14;1-8(2)10-5-12-11(14-6-10)7-15-13(17)16(12)9(3)4;1-8(2)11-6-5-10-7-14-13(17)16(9(3)4)12(10)15-11;1-9(2)11-7-13-12(8-15-11)14-5-6-16(13)10(3)4;1-9(2)11-5-6-12-13(15-11)16(10(3)4)8-7-14-12;2*1-9(2)12-8-14-11-6-5-7-16(10(3)4)13(11)15-12;1-9(2)11-7-12-13(14-8-11)16-6-5-15(12)10(3)4;1-9(2)11-5-6-12-13(14-11)15(10(3)4)7-8-16-12;1-7(2)9-5-13-10-6-14-12(17)16(8(3)4)11(10)15-9;1-8(2)11-14-7-10-12(15-11)16(9(3)4)6-5-13-10;1-8(2)10-7-14-11-12(15-10)16(9(3)4)6-5-13-11;1-8(2)11-13-7-10-12(14-11)15(9(3)4)5-6-16-10;1-8(2)10-7-13-12-11(14-10)15(9(3)4)5-6-16-12/h7-8,10-12H,5-6,9H2,1-4H3;5-10H,1-4H3;5-6,9-11,15H,7-8H2,1-4H3;7-8,10-11H,5-6,9H2,1-4H3;2*8-11H,5-7H2,1-4H3;5-6,9-11H,7-8H2,1-4H3;2*5-9H,1-4H3;7-10,14H,5-6H2,1-4H3;5-6,9-10,14H,7-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-8H,1-4H3;7-9,13H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3,(H,13,14);2*7-9H,5-6H2,1-4H3
InChIKeyBCWWJYCEIBLWPU-UHFFFAOYSA-N
XLogP56.65
TPSA594.17 Ų
H-Bond Donors5
H-Bond Acceptors61
Rotatable Bonds40
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004436.46
LogP ≤ 556.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1061

Analyze 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one?
The IUPAC name of 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one (CID 157309674) is 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one.
What is the SMILES notation for 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one?
The canonical SMILES for 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one is CC(C)c1cc2c(cn1)CCCN2C(C)C.CC(C)c1cc2c(cn1)NCCN2C(C)C.CC(C)c1ccc2c(c1)N(C(C)C)CCC2.CC(C)c1ccc2c(c1)N(C(C)C)CCN2.CC(C)c1ccc2c(c1)N(C(C)C)CCO2.CC(C)c1ccc2c(n1)N(C(C)C)CCC2.CC(C)c1ccc2c(n1)N(C(C)C)CCN2.CC(C)c1ccc2c(n1)N(C(C)C)CCO2.CC(C)c1ccc2cnc(=O)n(C(C)C)c2c1.CC(C)c1ccc2cnc(=O)n(C(C)C)c2n1.CC(C)c1cnc2c(c1)N(C(C)C)CCC2.CC(C)c1cnc2c(c1)N(C(C)C)CCO2.CC(C)c1cnc2c(n1)N(C(C)C)CCC2.CC(C)c1cnc2c(n1)N(C(C)C)CCC2.CC(C)c1cnc2c(n1)N(C(C)C)CCN2.CC(C)c1cnc2c(n1)N(C(C)C)CCO2.CC(C)c1cnc2cnc(=O)n(C(C)C)c2c1.CC(C)c1cnc2cnc(=O)n(C(C)C)c2n1.CC(C)c1ncc2c(n1)N(C(C)C)CCN2.CC(C)c1ncc2c(n1)N(C(C)C)CCO2.
What is the InChIKey of 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one?
The InChIKey is BCWWJYCEIBLWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C14H18N2O.4C14H22N2.C14H21NO.2C13H17N3O.4C13H21N3.2C13H20N2O.C12H16N4O.2C12H20N4.2C12H19N3O/c1-11(2)14-8-7-13-6-5-9-16(12(3)4)15(13)10-14;1-9(2)11-5-6-12-8-15-14(17)16(10(3)4)13(12)7-11;1-10(2)12-5-6-13-14(9-12)16(11(3)4)8-7-15-13;1-10(2)13-8-7-12-6-5-9-16(11(3)4)14(12)15-13;1-10(2)12-8-14-13(15-9-12)6-5-7-16(14)11(3)4;1-10(2)13-8-14-12(9-15-13)6-5-7-16(14)11(3)4;1-10(2)12-5-6-14-13(9-12)15(11(3)4)7-8-16-14;1-8(2)10-5-12-11(14-6-10)7-15-13(17)16(12)9(3)4;1-8(2)11-6-5-10-7-14-13(17)16(9(3)4)12(10)15-11;1-9(2)11-7-13-12(8-15-11)14-5-6-16(13)10(3)4;1-9(2)11-5-6-12-13(15-11)16(10(3)4)8-7-14-12;2*1-9(2)12-8-14-11-6-5-7-16(10(3)4)13(11)15-12;1-9(2)11-7-12-13(14-8-11)16-6-5-15(12)10(3)4;1-9(2)11-5-6-12-13(14-11)15(10(3)4)7-8-16-12;1-7(2)9-5-13-10-6-14-12(17)16(8(3)4)11(10)15-9;1-8(2)11-14-7-10-12(15-11)16(9(3)4)6-5-13-10;1-8(2)10-7-14-11-12(15-10)16(9(3)4)6-5-13-11;1-8(2)11-13-7-10-12(14-11)15(9(3)4)5-6-16-10;1-8(2)10-7-13-12-11(14-10)15(9(3)4)5-6-16-12/h7-8,10-12H,5-6,9H2,1-4H3;5-10H,1-4H3;5-6,9-11,15H,7-8H2,1-4H3;7-8,10-11H,5-6,9H2,1-4H3;2*8-11H,5-7H2,1-4H3;5-6,9-11H,7-8H2,1-4H3;2*5-9H,1-4H3;7-10,14H,5-6H2,1-4H3;5-6,9-10,14H,7-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-8H,1-4H3;7-9,13H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3,(H,13,14);2*7-9H,5-6H2,1-4H3.
What are the key properties of 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one?
4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one has a molecular weight of 4436.46 g/mol, XLogP of 56.65, 40 rotatable bonds, 5 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,5-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,6-naphthyridine;1,7-di(propan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine;2,8-di(propan-2-yl)-6,7-dihydro-5H-pteridine;4,6-di(propan-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine;3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine;1,7-di(propan-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine;4,6-di(propan-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine;bis(3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine);4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrido[2,3-b]pyrazine;2,8-di(propan-2-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;4,6-di(propan-2-yl)-2,3-dihydro-1H-quinoxaline;1,7-di(propan-2-yl)pteridin-2-one;1,7-di(propan-2-yl)pyrido[2,3-d]pyrimidin-2-one;1,7-di(propan-2-yl)pyrido[3,2-d]pyrimidin-2-one;1,7-di(propan-2-yl)quinazolin-2-one is sourced from PubChem (CID 157309674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).