2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide

C23H26N2O2 — CID 42749978

IUPAC2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C)cc12
InChIInChI=1S/C23H26N2O2/c1-4-5-6-13-24-23(26)20-15-22(17-8-10-18(27-3)11-9-17)25-21-12-7-16(2)14-19(20)21/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,26)
InChIKeyKYMANGNZNWKYSH-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.14
Rot. Bonds7

About 2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide

2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide (PubChem CID 42749978) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
PubChem CID42749978
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C)cc12
InChIInChI=1S/C23H26N2O2/c1-4-5-6-13-24-23(26)20-15-22(17-8-10-18(27-3)11-9-17)25-21-12-7-16(2)14-19(20)21/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,26)
InChIKeyKYMANGNZNWKYSH-UHFFFAOYSA-N
XLogP5.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 42749977
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-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
2-(4-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24717051
2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide
CID 46375371
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
6-(4-methoxyphenyl)-1-methyl-N-pentylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800939
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea
CID 9220474
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42749781

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide (CID 42749978) is 2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide is CCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C)cc12.
What is the InChIKey of 2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide?
The InChIKey is KYMANGNZNWKYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-4-5-6-13-24-23(26)20-15-22(17-8-10-18(27-3)11-9-17)25-21-12-7-16(2)14-19(20)21/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,26).
What are the key properties of 2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide?
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide is sourced from PubChem (CID 42749978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).