2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide

C27H26N2O2 — CID 19647752

IUPAC2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(C)c3ccccc3)c3cc(C)cc(C)c3n2)c1
InChIInChI=1S/C27H26N2O2/c1-17-13-18(2)26-23(14-17)24(27(30)28-19(3)20-9-6-5-7-10-20)16-25(29-26)21-11-8-12-22(15-21)31-4/h5-16,19H,1-4H3,(H,28,30)
InChIKeyVHEGZVKHZUNPFZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP6.02
Rot. Bonds5

About 2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide

2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide (PubChem CID 19647752) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide
PubChem CID19647752
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(C)c3ccccc3)c3cc(C)cc(C)c3n2)c1
InChIInChI=1S/C27H26N2O2/c1-17-13-18(2)26-23(14-17)24(27(30)28-19(3)20-9-6-5-7-10-20)16-25(29-26)21-11-8-12-22(15-21)31-4/h5-16,19H,1-4H3,(H,28,30)
InChIKeyVHEGZVKHZUNPFZ-UHFFFAOYSA-N
XLogP6.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073
6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3276685
(3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648301
N-(4-bromo-3-methylphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647775
2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1313899
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647766
N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965475
ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate
CID 19647745
5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 58833104
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 42659177
2-(3-methoxyphenyl)-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 4673574
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide (CID 19647752) is 2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)NC(C)c3ccccc3)c3cc(C)cc(C)c3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide?
The InChIKey is VHEGZVKHZUNPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-17-13-18(2)26-23(14-17)24(27(30)28-19(3)20-9-6-5-7-10-20)16-25(29-26)21-11-8-12-22(15-21)31-4/h5-16,19H,1-4H3,(H,28,30).
What are the key properties of 2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide?
2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 19647752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).