2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide

C34H32N2O3 — CID 3967008

IUPAC2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCC(c3ccccc3)c3ccccc3)c3cc(C)ccc3n2)c(OC)c1
InChIInChI=1S/C34H32N2O3/c1-23-14-17-31-29(20-23)30(22-32(36-31)28-16-15-26(38-2)21-33(28)39-3)34(37)35-19-18-27(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,20-22,27H,18-19H2,1-3H3,(H,35,37)
InChIKeyCEBPJGQRQJZUBR-UHFFFAOYSA-N
MW516.64 g/mol
LogP7.18
Rot. Bonds9

About 2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide

2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide (PubChem CID 3967008) has the molecular formula C34H32N2O3 and a molecular weight of 516.64 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide
PubChem CID3967008
Molecular FormulaC34H32N2O3
Molecular Weight516.64 g/mol
Exact Mass516.24
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCC(c3ccccc3)c3ccccc3)c3cc(C)ccc3n2)c(OC)c1
InChIInChI=1S/C34H32N2O3/c1-23-14-17-31-29(20-23)30(22-32(36-31)28-16-15-26(38-2)21-33(28)39-3)34(37)35-19-18-27(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,20-22,27H,18-19H2,1-3H3,(H,35,37)
InChIKeyCEBPJGQRQJZUBR-UHFFFAOYSA-N
XLogP7.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide
CID 42749987
N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 3397561
2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 42749977
2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide
CID 42750246
2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide
CID 4565614
2-(2,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 42749556
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 42749995
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 46323553
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide (CID 3967008) is 2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCCC(c3ccccc3)c3ccccc3)c3cc(C)ccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide?
The InChIKey is CEBPJGQRQJZUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O3/c1-23-14-17-31-29(20-23)30(22-32(36-31)28-16-15-26(38-2)21-33(28)39-3)34(37)35-19-18-27(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,20-22,27H,18-19H2,1-3H3,(H,35,37).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide has a molecular weight of 516.64 g/mol, XLogP of 7.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 3967008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).