N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

C21H17ClN4O — CID 19512920

IUPACN-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C21H17ClN4O/c1-13-17(22)7-5-9-18(13)25-21(27)16-10-20(14-11-23-26(2)12-14)24-19-8-4-3-6-15(16)19/h3-12H,1-2H3,(H,25,27)
InChIKeyJBLMOPVNPQRCBQ-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.85
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19512920) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19512920
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C21H17ClN4O/c1-13-17(22)7-5-9-18(13)25-21(27)16-10-20(14-11-23-26(2)12-14)24-19-8-4-3-6-15(16)19/h3-12H,1-2H3,(H,25,27)
InChIKeyJBLMOPVNPQRCBQ-UHFFFAOYSA-N
XLogP4.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518467
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 5129728
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518514
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513013

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 19512920) is N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is JBLMOPVNPQRCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-13-17(22)7-5-9-18(13)25-21(27)16-10-20(14-11-23-26(2)12-14)24-19-8-4-3-6-15(16)19/h3-12H,1-2H3,(H,25,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19512920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).