2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide

C27H26N2O2 — CID 4643106

IUPAC2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)cc1
InChIInChI=1S/C27H26N2O2/c1-18-8-13-22(19(2)16-18)26-17-24(23-6-4-5-7-25(23)29-26)27(30)28-15-14-20-9-11-21(31-3)12-10-20/h4-13,16-17H,14-15H2,1-3H3,(H,28,30)
InChIKeyRYTCZBTYEWWKCF-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.50
Rot. Bonds6

About 2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide

2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 4643106) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
PubChem CID4643106
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)cc1
InChIInChI=1S/C27H26N2O2/c1-18-8-13-22(19(2)16-18)26-17-24(23-6-4-5-7-25(23)29-26)27(30)28-15-14-20-9-11-21(31-3)12-10-20/h4-13,16-17H,14-15H2,1-3H3,(H,28,30)
InChIKeyRYTCZBTYEWWKCF-UHFFFAOYSA-N
XLogP5.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide
CID 45099957
2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 20854390
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353295
2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990880
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 1221492
2-(2,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 42749556

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide (CID 4643106) is 2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide is COc1ccc(CCNC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)cc1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is RYTCZBTYEWWKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-18-8-13-22(19(2)16-18)26-17-24(23-6-4-5-7-25(23)29-26)27(30)28-15-14-20-9-11-21(31-3)12-10-20/h4-13,16-17H,14-15H2,1-3H3,(H,28,30).
What are the key properties of 2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide?
2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 4643106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).