N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide

C28H28N2O2 — CID 4608973

IUPACN-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
SMILESCCCCc1ccc(NC(=O)c2c(C)c(-c3ccc(OC)cc3)nc3ccccc23)cc1
InChIInChI=1S/C28H28N2O2/c1-4-5-8-20-11-15-22(16-12-20)29-28(31)26-19(2)27(21-13-17-23(32-3)18-14-21)30-25-10-7-6-9-24(25)26/h6-7,9-18H,4-5,8H2,1-3H3,(H,29,31)
InChIKeyUOLVZQZLZHVCSQ-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.81
Rot. Bonds7

About N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide

N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide (PubChem CID 4608973) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
PubChem CID4608973
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC NameN-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
SMILESCCCCc1ccc(NC(=O)c2c(C)c(-c3ccc(OC)cc3)nc3ccccc23)cc1
InChIInChI=1S/C28H28N2O2/c1-4-5-8-20-11-15-22(16-12-20)29-28(31)26-19(2)27(21-13-17-23(32-3)18-14-21)30-25-10-7-6-9-24(25)26/h6-7,9-18H,4-5,8H2,1-3H3,(H,29,31)
InChIKeyUOLVZQZLZHVCSQ-UHFFFAOYSA-N
XLogP6.81
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 ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457
N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3681950
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3308985
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate
CID 3482413
2-(4-methoxyphenyl)-3-methyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 3479572
N,N-diethyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4199357
4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
CID 3395284
3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4642101
N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1312279
2-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 2259444

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The IUPAC name of N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide (CID 4608973) is N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide is CCCCc1ccc(NC(=O)c2c(C)c(-c3ccc(OC)cc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The InChIKey is UOLVZQZLZHVCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-4-5-8-20-11-15-22(16-12-20)29-28(31)26-19(2)27(21-13-17-23(32-3)18-14-21)30-25-10-7-6-9-24(25)26/h6-7,9-18H,4-5,8H2,1-3H3,(H,29,31).
What are the key properties of N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 6.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 4608973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).