6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide

C21H24N2O3 — CID 1419640

IUPAC6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide
SMILESCOc1ccc(NC(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)cc1
InChIInChI=1S/C21H24N2O3/c1-14-13-21(2,3)23(19-11-10-17(26-5)12-18(14)19)20(24)22-15-6-8-16(25-4)9-7-15/h6-13H,1-5H3,(H,22,24)
InChIKeyATZSPTFSULQZCW-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.94
Rot. Bonds3

About 6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide

6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide (PubChem CID 1419640) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide
PubChem CID1419640
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide
SMILESCOc1ccc(NC(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)cc1
InChIInChI=1S/C21H24N2O3/c1-14-13-21(2,3)23(19-11-10-17(26-5)12-18(14)19)20(24)22-15-6-8-16(25-4)9-7-15/h6-13H,1-5H3,(H,22,24)
InChIKeyATZSPTFSULQZCW-UHFFFAOYSA-N
XLogP4.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethoxyquin
CID 3293
4-methoxy-2-methyl-N-phenylaniline
CID 162461
Haplamine
CID 648601
4-(4-methoxyphenyl)-1H-quinolin-2-one
CID 672272
N-(4-Methoxy-2-methylphenyl)-acetamide
CID 95082
N,N'-(Di-p-methoxyphenyl)urea
CID 136951
2-Hydroxy-6-methoxy-4-methylquinoline
CID 220017
6-Methoxy-4-(3-methylbut-1-ynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
CID 478289
6-Methoxy-4-(2-phenylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
CID 478290
[4-[(4-Methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate
CID 70692553
N-[4-(3-Methoxy-benzyl)-phenyl]-butyramide
CID 44264818
[4-[(4-Phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate
CID 70692554

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide?
The IUPAC name of 6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide (CID 1419640) is 6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide.
What is the SMILES notation for 6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide?
The canonical SMILES for 6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide is COc1ccc(NC(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)cc1.
What is the InChIKey of 6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide?
The InChIKey is ATZSPTFSULQZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-13-21(2,3)23(19-11-10-17(26-5)12-18(14)19)20(24)22-15-6-8-16(25-4)9-7-15/h6-13H,1-5H3,(H,22,24).
What are the key properties of 6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide?
6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide is sourced from PubChem (CID 1419640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).