N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide

C22H21N3O3 — CID 126812723

IUPACN-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nccc(C)c3c2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C22H21N3O3/c1-13-9-10-23-19-7-3-14(11-17(13)19)21(26)25-20-8-6-16(28-2)12-18(20)22(27)24-15-4-5-15/h3,6-12,15H,4-5H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyVEMNLKSWVLFPRF-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.70
Rot. Bonds5

About N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide

N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide (PubChem CID 126812723) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide
PubChem CID126812723
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nccc(C)c3c2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C22H21N3O3/c1-13-9-10-23-19-7-3-14(11-17(13)19)21(26)25-20-8-6-16(28-2)12-18(20)22(27)24-15-4-5-15/h3,6-12,15H,4-5H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyVEMNLKSWVLFPRF-UHFFFAOYSA-N
XLogP3.70
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56782337
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide
CID 56782333
2-(cyclopropanecarbonylamino)-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 136541919
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide
CID 120500588
2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide
CID 22641648
N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119778181
2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide
CID 119320449
N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119778200
5-N-cyclopropyl-3-N-(2,4-dimethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109101658
N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 56782320

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide?
The IUPAC name of N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide (CID 126812723) is N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide?
The canonical SMILES for N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide is COc1ccc(NC(=O)c2ccc3nccc(C)c3c2)c(C(=O)NC2CC2)c1.
What is the InChIKey of N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide?
The InChIKey is VEMNLKSWVLFPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-9-10-23-19-7-3-14(11-17(13)19)21(26)25-20-8-6-16(28-2)12-18(20)22(27)24-15-4-5-15/h3,6-12,15H,4-5H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide?
N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide is sourced from PubChem (CID 126812723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).