8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane

C90H112BrCl2FN10O14 — CID 159732572

IUPAC8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane
SMILESCC(C)C.CCOc1cc(OC(C)C)c2ccc(OC)c(Br)c2n1.CCOc1cc(OC(C)C)c2ccc(OC)c(C)c2n1.CCOc1cc(OC(C)C)c2ccc(OC)c(Cl)c2n1.CCOc1cc(OC(C)C)c2cccc(Cl)c2n1.COc1ccc2c(OC(C)C)ncnc2c1.O=c1cc(Nc2ccc(F)cc2)nc(N2CCCC2)[nH]1
InChIInChI=1S/C16H21NO3.C15H18BrNO3.C15H18ClNO3.C14H16ClNO2.C14H15FN4O.C12H14N2O2.C4H10/c1-6-19-15-9-14(20-10(2)3)12-7-8-13(18-5)11(4)16(12)17-15;2*1-5-19-13-8-12(20-9(2)3)10-6-7-11(18-4)14(16)15(10)17-13;1-4-17-13-8-12(18-9(2)3)10-6-5-7-11(15)14(10)16-13;15-10-3-5-11(6-4-10)16-12-9-13(20)18-14(17-12)19-7-1-2-8-19;1-8(2)16-12-10-5-4-9(15-3)6-11(10)13-7-14-12;1-4(2)3/h7-10H,6H2,1-5H3;2*6-9H,5H2,1-4H3;5-9H,4H2,1-3H3;3-6,9H,1-2,7-8H2,(H2,16,17,18,20);4-8H,1-3H3;4H,1-3H3
InChIKeyNBKMBSXRFHVHBK-UHFFFAOYSA-N
MW1727.75 g/mol
LogP22.43
Rot. Bonds25

About 8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane

8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane (PubChem CID 159732572) has the molecular formula C90H112BrCl2FN10O14 and a molecular weight of 1727.75 g/mol. Its IUPAC name is 8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane.

Molecular Properties

Compound Name8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane
PubChem CID159732572
Molecular FormulaC90H112BrCl2FN10O14
Molecular Weight1727.75 g/mol
Exact Mass1724.69
IUPAC Name8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane
SMILESCC(C)C.CCOc1cc(OC(C)C)c2ccc(OC)c(Br)c2n1.CCOc1cc(OC(C)C)c2ccc(OC)c(C)c2n1.CCOc1cc(OC(C)C)c2ccc(OC)c(Cl)c2n1.CCOc1cc(OC(C)C)c2cccc(Cl)c2n1.COc1ccc2c(OC(C)C)ncnc2c1.O=c1cc(Nc2ccc(F)cc2)nc(N2CCCC2)[nH]1
InChIInChI=1S/C16H21NO3.C15H18BrNO3.C15H18ClNO3.C14H16ClNO2.C14H15FN4O.C12H14N2O2.C4H10/c1-6-19-15-9-14(20-10(2)3)12-7-8-13(18-5)11(4)16(12)17-15;2*1-5-19-13-8-12(20-9(2)3)10-6-7-11(18-4)14(16)15(10)17-13;1-4-17-13-8-12(18-9(2)3)10-6-5-7-11(15)14(10)16-13;15-10-3-5-11(6-4-10)16-12-9-13(20)18-14(17-12)19-7-1-2-8-19;1-8(2)16-12-10-5-4-9(15-3)6-11(10)13-7-14-12;1-4(2)3/h7-10H,6H2,1-5H3;2*6-9H,5H2,1-4H3;5-9H,4H2,1-3H3;3-6,9H,1-2,7-8H2,(H2,16,17,18,20);4-8H,1-3H3;4H,1-3H3
InChIKeyNBKMBSXRFHVHBK-UHFFFAOYSA-N
XLogP22.43
TPSA258.35 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds25
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001727.75
LogP ≤ 522.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane with MolForge

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Related Compounds

8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;8-chloro-2-ethoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;N-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-2-amine;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline
CID 157214574
8-Bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;8-chloro-2-ethoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;2-[(4-fluorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-6-pyrrolidin-1-ylpyrimidine;7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline
CID 157350340
8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;6-cyclopropyloxy-1-propan-2-yloxyisoquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;6-(2-methoxyethoxy)-1-propan-2-yloxyisoquinoline;7-methoxy-1-propan-2-ylcinnolin-4-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane
CID 157787766
8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;6-cyclopropyloxy-1-propan-2-yloxyisoquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;N-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]-2-pyrrolidin-1-ylpyrimidin-4-amine;6-(2-methoxyethoxy)-1-propan-2-yloxyisoquinoline;7-methoxy-1-propan-2-ylcinnolin-4-one;7-methoxy-4-propan-2-yloxyquinazoline
CID 159731472
8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;2-methylpropane
CID 160385318

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane?
The IUPAC name of 8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane (CID 159732572) is 8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane.
What is the SMILES notation for 8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane?
The canonical SMILES for 8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane is CC(C)C.CCOc1cc(OC(C)C)c2ccc(OC)c(Br)c2n1.CCOc1cc(OC(C)C)c2ccc(OC)c(C)c2n1.CCOc1cc(OC(C)C)c2ccc(OC)c(Cl)c2n1.CCOc1cc(OC(C)C)c2cccc(Cl)c2n1.COc1ccc2c(OC(C)C)ncnc2c1.O=c1cc(Nc2ccc(F)cc2)nc(N2CCCC2)[nH]1.
What is the InChIKey of 8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane?
The InChIKey is NBKMBSXRFHVHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3.C15H18BrNO3.C15H18ClNO3.C14H16ClNO2.C14H15FN4O.C12H14N2O2.C4H10/c1-6-19-15-9-14(20-10(2)3)12-7-8-13(18-5)11(4)16(12)17-15;2*1-5-19-13-8-12(20-9(2)3)10-6-7-11(18-4)14(16)15(10)17-13;1-4-17-13-8-12(18-9(2)3)10-6-5-7-11(15)14(10)16-13;15-10-3-5-11(6-4-10)16-12-9-13(20)18-14(17-12)19-7-1-2-8-19;1-8(2)16-12-10-5-4-9(15-3)6-11(10)13-7-14-12;1-4(2)3/h7-10H,6H2,1-5H3;2*6-9H,5H2,1-4H3;5-9H,4H2,1-3H3;3-6,9H,1-2,7-8H2,(H2,16,17,18,20);4-8H,1-3H3;4H,1-3H3.
What are the key properties of 8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane?
8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane has a molecular weight of 1727.75 g/mol, XLogP of 22.43, 25 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;4-(4-fluoroanilino)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;7-methoxy-4-propan-2-yloxyquinazoline;2-methylpropane is sourced from PubChem (CID 159732572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).