2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide

C24H22N2O4 — CID 42749987

IUPAC2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccco3)c3cc(C)ccc3n2)c(OC)c1
InChIInChI=1S/C24H22N2O4/c1-15-6-9-21-19(11-15)20(24(27)25-14-17-5-4-10-30-17)13-22(26-21)18-8-7-16(28-2)12-23(18)29-3/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyJMMCFQDXJNYORZ-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.75
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide

2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide (PubChem CID 42749987) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide
PubChem CID42749987
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccco3)c3cc(C)ccc3n2)c(OC)c1
InChIInChI=1S/C24H22N2O4/c1-15-6-9-21-19(11-15)20(24(27)25-14-17-5-4-10-30-17)13-22(26-21)18-8-7-16(28-2)12-23(18)29-3/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyJMMCFQDXJNYORZ-UHFFFAOYSA-N
XLogP4.75
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide
CID 3967008
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3431017
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide
CID 42750246
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 42749995
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
N-(furan-2-ylmethyl)-4-methoxyquinoline-2-carboxamide
CID 71824016
N-[2-(furan-2-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18109779
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide (CID 42749987) is 2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccco3)c3cc(C)ccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide?
The InChIKey is JMMCFQDXJNYORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-15-6-9-21-19(11-15)20(24(27)25-14-17-5-4-10-30-17)13-22(26-21)18-8-7-16(28-2)12-23(18)29-3/h4-13H,14H2,1-3H3,(H,25,27).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 42749987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).