2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide

C23H26N2O2 — CID 42749977

IUPAC2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCC(C)C)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C23H26N2O2/c1-15(2)11-12-24-23(26)20-14-22(17-6-8-18(27-4)9-7-17)25-21-10-5-16(3)13-19(20)21/h5-10,13-15H,11-12H2,1-4H3,(H,24,26)
InChIKeyDNHPKVNBALEDOI-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.99
Rot. Bonds6

About 2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide

2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide (PubChem CID 42749977) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
PubChem CID42749977
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCC(C)C)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C23H26N2O2/c1-15(2)11-12-24-23(26)20-14-22(17-6-8-18(27-4)9-7-17)25-21-10-5-16(3)13-19(20)21/h5-10,13-15H,11-12H2,1-4H3,(H,24,26)
InChIKeyDNHPKVNBALEDOI-UHFFFAOYSA-N
XLogP4.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 46323553
2-(4-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24717051
6-methyl-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749636
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide
CID 3967008
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 42749695
2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide
CID 3443764
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide (CID 42749977) is 2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCCC(C)C)c3cc(C)ccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide?
The InChIKey is DNHPKVNBALEDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15(2)11-12-24-23(26)20-14-22(17-6-8-18(27-4)9-7-17)25-21-10-5-16(3)13-19(20)21/h5-10,13-15H,11-12H2,1-4H3,(H,24,26).
What are the key properties of 2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide?
2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.99, 6 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-(3-methylbutyl)quinoline-4-carboxamide is sourced from PubChem (CID 42749977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).