2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide

C17H18N4O — CID 19513031

IUPAC2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
SMILESCCCNC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C17H18N4O/c1-3-8-18-17(22)14-9-16(12-10-19-21(2)11-12)20-15-7-5-4-6-13(14)15/h4-7,9-11H,3,8H2,1-2H3,(H,18,22)
InChIKeyOJEAPGLJVUAOQD-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.78
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide

2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide (PubChem CID 19513031) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
PubChem CID19513031
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
SMILESCCCNC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C17H18N4O/c1-3-8-18-17(22)14-9-16(12-10-19-21(2)11-12)20-15-7-5-4-6-13(14)15/h4-7,9-11H,3,8H2,1-2H3,(H,18,22)
InChIKeyOJEAPGLJVUAOQD-UHFFFAOYSA-N
XLogP2.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-propan-2-ylquinoline-4-carboxamide
CID 19513034
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518387
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1257098
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72837727
N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513013
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518466

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide (CID 19513031) is 2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide is CCCNC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide?
The InChIKey is OJEAPGLJVUAOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-8-18-17(22)14-9-16(12-10-19-21(2)11-12)20-15-7-5-4-6-13(14)15/h4-7,9-11H,3,8H2,1-2H3,(H,18,22).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.78, 4 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-propylquinoline-4-carboxamide is sourced from PubChem (CID 19513031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).