N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide

C22H21N3O3 — CID 71844776

IUPACN-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide
SMILESCOc1ccc2nc(C3CC3)cc(C(=O)Nc3cccc(NC(C)=O)c3)c2c1
InChIInChI=1S/C22H21N3O3/c1-13(26)23-15-4-3-5-16(10-15)24-22(27)19-12-21(14-6-7-14)25-20-9-8-17(28-2)11-18(19)20/h3-5,8-12,14H,6-7H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyWGMIHAARIRMTSN-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.33
Rot. Bonds5

About N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide

N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide (PubChem CID 71844776) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide
PubChem CID71844776
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide
SMILESCOc1ccc2nc(C3CC3)cc(C(=O)Nc3cccc(NC(C)=O)c3)c2c1
InChIInChI=1S/C22H21N3O3/c1-13(26)23-15-4-3-5-16(10-15)24-22(27)19-12-21(14-6-7-14)25-20-9-8-17(28-2)11-18(19)20/h3-5,8-12,14H,6-7H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyWGMIHAARIRMTSN-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120525811
5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
CID 120525344
2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
CID 120534676
6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643635
2-cyclopropyl-6-methyl-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]quinoline-4-carboxamide
CID 96522697
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696
N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide
CID 82546305
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 9040689
[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 40763723
2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 31745720
6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 18073446

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide (CID 71844776) is N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide is COc1ccc2nc(C3CC3)cc(C(=O)Nc3cccc(NC(C)=O)c3)c2c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide?
The InChIKey is WGMIHAARIRMTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13(26)23-15-4-3-5-16(10-15)24-22(27)19-12-21(14-6-7-14)25-20-9-8-17(28-2)11-18(19)20/h3-5,8-12,14H,6-7H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide?
N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide is sourced from PubChem (CID 71844776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).