N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide

C29H29FN2O3 — CID 42659200

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(F)cc23)cc1OC
InChIInChI=1S/C29H29FN2O3/c1-18-6-8-21(14-19(18)2)26-17-24(23-16-22(30)9-10-25(23)31-26)29(33)32(3)13-12-20-7-11-27(34-4)28(15-20)35-5/h6-11,14-17H,12-13H2,1-5H3
InChIKeyREFCXILMRUHYTE-UHFFFAOYSA-N
MW472.56 g/mol
LogP5.99
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide (PubChem CID 42659200) has the molecular formula C29H29FN2O3 and a molecular weight of 472.56 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide
PubChem CID42659200
Molecular FormulaC29H29FN2O3
Molecular Weight472.56 g/mol
Exact Mass472.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(F)cc23)cc1OC
InChIInChI=1S/C29H29FN2O3/c1-18-6-8-21(14-19(18)2)26-17-24(23-16-22(30)9-10-25(23)31-26)29(33)32(3)13-12-20-7-11-27(34-4)28(15-20)35-5/h6-11,14-17H,12-13H2,1-5H3
InChIKeyREFCXILMRUHYTE-UHFFFAOYSA-N
XLogP5.99
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.56
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Fluoro-2-[2-Methyl-4-Phenoxy-5-(Propan-2-Yl)phenyl]quinoline-4-Carboxylic Acid
CID 71816353
2-((6,7-dimethoxyquinolin-4-yl)methyl)-N-(4-fluoro-3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 24849200
2-((6,7-dimethoxyquinolin-4-yl)methyl)-N-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 44568608
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 4915921
2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
CID 1540951
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575
N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 1223033
[2-(3,4-Dimethoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 4334700
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4868821
Azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone
CID 9361949
[2-(4-Ethoxyphenyl)quinolin-4-yl](pyrrolidin-1-yl)methanone
CID 757764

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide (CID 42659200) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide is COc1ccc(CCN(C)C(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(F)cc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide?
The InChIKey is REFCXILMRUHYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN2O3/c1-18-6-8-21(14-19(18)2)26-17-24(23-16-22(30)9-10-25(23)31-26)29(33)32(3)13-12-20-7-11-27(34-4)28(15-20)35-5/h6-11,14-17H,12-13H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide has a molecular weight of 472.56 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-6-fluoro-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 42659200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).