8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one

C214H271N33O19 — CID 160543916

IUPAC8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one
SMILESCC(C)C1CC(=O)Cc2cccnc21.CC(C)C1CCC(=O)c2cccnc21.CC(C)C1CCC(=O)c2ccnnc21.CC(C)C1CCC(=O)c2cncnc21.CC(C)C1CCC(=O)c2nccnc21.CC(C)c1cc2c(cn1)C(=O)NCC2.CC(C)c1cc2c(cn1)CCNC2=O.CC(C)c1nccc2c1C(=O)CCC2.CC(C)c1nccc2c1C(=O)NCC2.CC(C)c1nccc2c1CC(=O)NC2.CC(C)c1nccc2c1CCC(=O)C2.CC(C)c1nccc2c1CCCC2=O.CC(C)c1nccc2c1CCNC2=O.CC(C)c1nccc2c1CNC(=O)C2.CC(C)c1nccc2c1NC(=O)CC2.CC(C)c1ncnc2c1C(=O)CCC2.CC(C)c1ncnc2c1CCCC2=O.CC(C)c1nncc2c1C(=O)CCC2.CC(C)c1nncc2c1CCCC2=O
InChIInChI=1S/5C12H15NO.14C11H14N2O/c1-8(2)12-11-4-3-10(14)7-9(11)5-6-13-12;1-8(2)9-5-6-11(14)10-4-3-7-13-12(9)10;1-8(2)11-7-10(14)6-9-4-3-5-13-12(9)11;1-8(2)12-10-4-3-5-11(14)9(10)6-7-13-12;1-8(2)12-11-9(6-7-13-12)4-3-5-10(11)14;1-7(2)10-8-3-6-13-11(14)9(8)4-5-12-10;1-7(2)10-9-8(3-5-12-10)4-6-13-11(9)14;1-7(2)8-3-4-10(14)9-5-12-6-13-11(8)9;1-7(2)11-9-5-10(14)13-6-8(9)3-4-12-11;1-7(2)10-5-9-8(6-13-10)3-4-12-11(9)14;1-7(2)11-9-6-13-10(14)5-8(9)3-4-12-11;1-7(2)10-5-8-3-4-12-11(14)9(8)6-13-10;1-7(2)8-3-4-10(14)9-5-6-12-13-11(8)9;1-7(2)8-3-4-9(14)11-10(8)12-5-6-13-11;1-7(2)10-11-8(5-6-12-10)3-4-9(14)13-11;1-7(2)11-8-4-3-5-10(14)9(8)6-12-13-11;1-7(2)11-10-8(12-6-13-11)4-3-5-9(10)14;1-7(2)10-8-4-3-5-9(14)11(8)13-6-12-10;1-7(2)11-10-8(6-12-13-11)4-3-5-9(10)14/h5-6,8H,3-4,7H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3-5,8,11H,6-7H2,1-2H3;2*6-8H,3-5H2,1-2H3;4-5,7H,3,6H2,1-2H3,(H,13,14);3,5,7H,4,6H2,1-2H3,(H,13,14);5-8H,3-4H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,13,14);5-7H,3-4H2,1-2H3,(H,12,14);3-4,7H,5-6H2,1-2H3,(H,13,14);5-7H,3-4H2,1-2H3,(H,12,14);2*5-8H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3,(H,13,14);4*6-7H,3-5H2,1-2H3
InChIKeyQXDZHCHHUOBOPH-UHFFFAOYSA-N
MW3609.73 g/mol
LogP38.71
Rot. Bonds19

About 8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one

8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one (PubChem CID 160543916) has the molecular formula C214H271N33O19 and a molecular weight of 3609.73 g/mol. Its IUPAC name is 8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one.

Molecular Properties

Compound Name8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one
PubChem CID160543916
Molecular FormulaC214H271N33O19
Molecular Weight3609.73 g/mol
Exact Mass3607.13
IUPAC Name8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one
SMILESCC(C)C1CC(=O)Cc2cccnc21.CC(C)C1CCC(=O)c2cccnc21.CC(C)C1CCC(=O)c2ccnnc21.CC(C)C1CCC(=O)c2cncnc21.CC(C)C1CCC(=O)c2nccnc21.CC(C)c1cc2c(cn1)C(=O)NCC2.CC(C)c1cc2c(cn1)CCNC2=O.CC(C)c1nccc2c1C(=O)CCC2.CC(C)c1nccc2c1C(=O)NCC2.CC(C)c1nccc2c1CC(=O)NC2.CC(C)c1nccc2c1CCC(=O)C2.CC(C)c1nccc2c1CCCC2=O.CC(C)c1nccc2c1CCNC2=O.CC(C)c1nccc2c1CNC(=O)C2.CC(C)c1nccc2c1NC(=O)CC2.CC(C)c1ncnc2c1C(=O)CCC2.CC(C)c1ncnc2c1CCCC2=O.CC(C)c1nncc2c1C(=O)CCC2.CC(C)c1nncc2c1CCCC2=O
InChIInChI=1S/5C12H15NO.14C11H14N2O/c1-8(2)12-11-4-3-10(14)7-9(11)5-6-13-12;1-8(2)9-5-6-11(14)10-4-3-7-13-12(9)10;1-8(2)11-7-10(14)6-9-4-3-5-13-12(9)11;1-8(2)12-10-4-3-5-11(14)9(10)6-7-13-12;1-8(2)12-11-9(6-7-13-12)4-3-5-10(11)14;1-7(2)10-8-3-6-13-11(14)9(8)4-5-12-10;1-7(2)10-9-8(3-5-12-10)4-6-13-11(9)14;1-7(2)8-3-4-10(14)9-5-12-6-13-11(8)9;1-7(2)11-9-5-10(14)13-6-8(9)3-4-12-11;1-7(2)10-5-9-8(6-13-10)3-4-12-11(9)14;1-7(2)11-9-6-13-10(14)5-8(9)3-4-12-11;1-7(2)10-5-8-3-4-12-11(14)9(8)6-13-10;1-7(2)8-3-4-10(14)9-5-6-12-13-11(8)9;1-7(2)8-3-4-9(14)11-10(8)12-5-6-13-11;1-7(2)10-11-8(5-6-12-10)3-4-9(14)13-11;1-7(2)11-8-4-3-5-10(14)9(8)6-12-13-11;1-7(2)11-10-8(12-6-13-11)4-3-5-9(10)14;1-7(2)10-8-4-3-5-9(14)11(8)13-6-12-10;1-7(2)11-10-8(6-12-13-11)4-3-5-9(10)14/h5-6,8H,3-4,7H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3-5,8,11H,6-7H2,1-2H3;2*6-8H,3-5H2,1-2H3;4-5,7H,3,6H2,1-2H3,(H,13,14);3,5,7H,4,6H2,1-2H3,(H,13,14);5-8H,3-4H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,13,14);5-7H,3-4H2,1-2H3,(H,12,14);3-4,7H,5-6H2,1-2H3,(H,13,14);5-7H,3-4H2,1-2H3,(H,12,14);2*5-8H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3,(H,13,14);4*6-7H,3-5H2,1-2H3
InChIKeyQXDZHCHHUOBOPH-UHFFFAOYSA-N
XLogP38.71
TPSA743.68 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds19
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003609.73
LogP ≤ 538.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

Analyze 8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one?
The IUPAC name of 8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one (CID 160543916) is 8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one.
What is the SMILES notation for 8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one?
The canonical SMILES for 8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one is CC(C)C1CC(=O)Cc2cccnc21.CC(C)C1CCC(=O)c2cccnc21.CC(C)C1CCC(=O)c2ccnnc21.CC(C)C1CCC(=O)c2cncnc21.CC(C)C1CCC(=O)c2nccnc21.CC(C)c1cc2c(cn1)C(=O)NCC2.CC(C)c1cc2c(cn1)CCNC2=O.CC(C)c1nccc2c1C(=O)CCC2.CC(C)c1nccc2c1C(=O)NCC2.CC(C)c1nccc2c1CC(=O)NC2.CC(C)c1nccc2c1CCC(=O)C2.CC(C)c1nccc2c1CCCC2=O.CC(C)c1nccc2c1CCNC2=O.CC(C)c1nccc2c1CNC(=O)C2.CC(C)c1nccc2c1NC(=O)CC2.CC(C)c1ncnc2c1C(=O)CCC2.CC(C)c1ncnc2c1CCCC2=O.CC(C)c1nncc2c1C(=O)CCC2.CC(C)c1nncc2c1CCCC2=O.
What is the InChIKey of 8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one?
The InChIKey is QXDZHCHHUOBOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/5C12H15NO.14C11H14N2O/c1-8(2)12-11-4-3-10(14)7-9(11)5-6-13-12;1-8(2)9-5-6-11(14)10-4-3-7-13-12(9)10;1-8(2)11-7-10(14)6-9-4-3-5-13-12(9)11;1-8(2)12-10-4-3-5-11(14)9(10)6-7-13-12;1-8(2)12-11-9(6-7-13-12)4-3-5-10(11)14;1-7(2)10-8-3-6-13-11(14)9(8)4-5-12-10;1-7(2)10-9-8(3-5-12-10)4-6-13-11(9)14;1-7(2)8-3-4-10(14)9-5-12-6-13-11(8)9;1-7(2)11-9-5-10(14)13-6-8(9)3-4-12-11;1-7(2)10-5-9-8(6-13-10)3-4-12-11(9)14;1-7(2)11-9-6-13-10(14)5-8(9)3-4-12-11;1-7(2)10-5-8-3-4-12-11(14)9(8)6-13-10;1-7(2)8-3-4-10(14)9-5-6-12-13-11(8)9;1-7(2)8-3-4-9(14)11-10(8)12-5-6-13-11;1-7(2)10-11-8(5-6-12-10)3-4-9(14)13-11;1-7(2)11-8-4-3-5-10(14)9(8)6-12-13-11;1-7(2)11-10-8(12-6-13-11)4-3-5-9(10)14;1-7(2)10-8-4-3-5-9(14)11(8)13-6-12-10;1-7(2)11-10-8(6-12-13-11)4-3-5-9(10)14/h5-6,8H,3-4,7H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3-5,8,11H,6-7H2,1-2H3;2*6-8H,3-5H2,1-2H3;4-5,7H,3,6H2,1-2H3,(H,13,14);3,5,7H,4,6H2,1-2H3,(H,13,14);5-8H,3-4H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,13,14);5-7H,3-4H2,1-2H3,(H,12,14);3-4,7H,5-6H2,1-2H3,(H,13,14);5-7H,3-4H2,1-2H3,(H,12,14);2*5-8H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3,(H,13,14);4*6-7H,3-5H2,1-2H3.
What are the key properties of 8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one?
8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one has a molecular weight of 3609.73 g/mol, XLogP of 38.71, 19 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one;1-propan-2-yl-6,7-dihydro-5H-isoquinolin-8-one;1-propan-2-yl-7,8-dihydro-5H-isoquinolin-6-one;1-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one;5-propan-2-yl-2,4-dihydro-1H-2,6-naphthyridin-3-one;5-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;6-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;7-propan-2-yl-3,4-dihydro-2H-2,6-naphthyridin-1-one;8-propan-2-yl-2,4-dihydro-1H-2,7-naphthyridin-3-one;8-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridin-2-one;8-propan-2-yl-3,4-dihydro-2H-2,7-naphthyridin-1-one;1-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-7,8-dihydro-6H-phthalazin-5-one;4-propan-2-yl-6,7-dihydro-5H-quinazolin-8-one;4-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinazolin-5-one;8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one;8-propan-2-yl-7,8-dihydro-6H-quinolin-5-one;8-propan-2-yl-7,8-dihydro-6H-quinoxalin-5-one is sourced from PubChem (CID 160543916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).