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

C20H22N2O2 — CID 744397

IUPACN-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide
SMILESCOc1ccc(NC(=O)N2c3ccccc3C(C)=CC2(C)C)cc1
InChIInChI=1S/C20H22N2O2/c1-14-13-20(2,3)22(18-8-6-5-7-17(14)18)19(23)21-15-9-11-16(24-4)12-10-15/h5-13H,1-4H3,(H,21,23)
InChIKeyAUIWQWSYXKMFAV-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.93
Rot. Bonds2

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

N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide (PubChem CID 744397) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide
PubChem CID744397
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide
SMILESCOc1ccc(NC(=O)N2c3ccccc3C(C)=CC2(C)C)cc1
InChIInChI=1S/C20H22N2O2/c1-14-13-20(2,3)22(18-8-6-5-7-17(14)18)19(23)21-15-9-11-16(24-4)12-10-15/h5-13H,1-4H3,(H,21,23)
InChIKeyAUIWQWSYXKMFAV-UHFFFAOYSA-N
XLogP4.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2-methyl-N-phenylaniline
CID 162461
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-(2-phenylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
CID 478290
1-(2-Methoxyphenyl)-3-naphthalen-1-ylurea
CID 768067
[4-[(4-Methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate
CID 70692553
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-methoxy-phenyl)-urea
CID 11363006
[4-[(4-Phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate
CID 70692554
N-(2-methoxyphenyl)-N'-(2-phenylethyl)urea
CID 853786
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide (CID 744397) is N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide is COc1ccc(NC(=O)N2c3ccccc3C(C)=CC2(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide?
The InChIKey is AUIWQWSYXKMFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-13-20(2,3)22(18-8-6-5-7-17(14)18)19(23)21-15-9-11-16(24-4)12-10-15/h5-13H,1-4H3,(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide?
N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1-carboxamide is sourced from PubChem (CID 744397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).