2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide

C28H28N2O2 — CID 3443764

IUPAC2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3cc(C(C)C)ccc3n2)cc1
InChIInChI=1S/C28H28N2O2/c1-19(2)22-11-14-26-24(17-22)25(28(31)29-16-15-20-7-5-4-6-8-20)18-27(30-26)21-9-12-23(32-3)13-10-21/h4-14,17-19H,15-16H2,1-3H3,(H,29,31)
InChIKeyKBTYGQBAGDXOJG-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.01
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide

2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide (PubChem CID 3443764) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide
PubChem CID3443764
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3cc(C(C)C)ccc3n2)cc1
InChIInChI=1S/C28H28N2O2/c1-19(2)22-11-14-26-24(17-22)25(28(31)29-16-15-20-7-5-4-6-8-20)18-27(30-26)21-9-12-23(32-3)13-10-21/h4-14,17-19H,15-16H2,1-3H3,(H,29,31)
InChIKeyKBTYGQBAGDXOJG-UHFFFAOYSA-N
XLogP6.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-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

2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 3443765
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxamide
CID 3443763
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 42749977
N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide
CID 45099957
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 4643106
methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate
CID 39351435

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide (CID 3443764) is 2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3cc(C(C)C)ccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide?
The InChIKey is KBTYGQBAGDXOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-19(2)22-11-14-26-24(17-22)25(28(31)29-16-15-20-7-5-4-6-8-20)18-27(30-26)21-9-12-23(32-3)13-10-21/h4-14,17-19H,15-16H2,1-3H3,(H,29,31).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 3443764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).