2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide

C17H18N4O — CID 19513034

IUPAC2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C17H18N4O/c1-11(2)19-17(22)14-8-16(12-9-18-21(3)10-12)20-15-7-5-4-6-13(14)15/h4-11H,1-3H3,(H,19,22)
InChIKeyXHAMKGPWNPSNTQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.77
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide

2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 19513034) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
PubChem CID19513034
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C17H18N4O/c1-11(2)19-17(22)14-8-16(12-9-18-21(3)10-12)20-15-7-5-4-6-13(14)15/h4-11H,1-3H3,(H,19,22)
InChIKeyXHAMKGPWNPSNTQ-UHFFFAOYSA-N
XLogP2.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977229
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518466
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513013
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518467
aminothiourea;methyl 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 90741884
N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512920
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518514

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide (CID 19513034) is 2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide is CC(C)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is XHAMKGPWNPSNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11(2)19-17(22)14-8-16(12-9-18-21(3)10-12)20-15-7-5-4-6-13(14)15/h4-11H,1-3H3,(H,19,22).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 19513034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).