N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

C22H23ClN6O — CID 19518387

IUPACN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1nn(CCCNC(=O)c2cc(-c3cnn(C)c3)nc3ccccc23)c(C)c1Cl
InChIInChI=1S/C22H23ClN6O/c1-14-21(23)15(2)29(27-14)10-6-9-24-22(30)18-11-20(16-12-25-28(3)13-16)26-19-8-5-4-7-17(18)19/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,24,30)
InChIKeyMUNRUEXZYUBOCR-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.92
Rot. Bonds6

About N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19518387) has the molecular formula C22H23ClN6O and a molecular weight of 422.92 g/mol. Its IUPAC name is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19518387
Molecular FormulaC22H23ClN6O
Molecular Weight422.92 g/mol
Exact Mass422.16
IUPAC NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1nn(CCCNC(=O)c2cc(-c3cnn(C)c3)nc3ccccc23)c(C)c1Cl
InChIInChI=1S/C22H23ClN6O/c1-14-21(23)15(2)29(27-14)10-6-9-24-22(30)18-11-20(16-12-25-28(3)13-16)26-19-8-5-4-7-17(18)19/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,24,30)
InChIKeyMUNRUEXZYUBOCR-UHFFFAOYSA-N
XLogP3.92
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-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-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512474
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
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
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512202
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511922
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72837727
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzamide
CID 19295543
N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512920
2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 19584056

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 19518387) is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is Cc1nn(CCCNC(=O)c2cc(-c3cnn(C)c3)nc3ccccc23)c(C)c1Cl.
What is the InChIKey of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is MUNRUEXZYUBOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O/c1-14-21(23)15(2)29(27-14)10-6-9-24-22(30)18-11-20(16-12-25-28(3)13-16)26-19-8-5-4-7-17(18)19/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,24,30).
What are the key properties of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19518387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).