N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide

C21H21N5O2 — CID 162671709

IUPACN-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)c3)cc21
InChIInChI=1S/C21H21N5O2/c1-22-21(28)26-11-3-6-14-7-8-17(13-19(14)26)24-20(27)16-5-2-4-15(12-16)18-9-10-23-25-18/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,22,28)(H,23,25)(H,24,27)
InChIKeyJPEQOMCBKYQUBH-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.42
Rot. Bonds3

About N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide

N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 162671709) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID162671709
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)c3)cc21
InChIInChI=1S/C21H21N5O2/c1-22-21(28)26-11-3-6-14-7-8-17(13-19(14)26)24-20(27)16-5-2-4-15(12-16)18-9-10-23-25-18/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,22,28)(H,23,25)(H,24,27)
InChIKeyJPEQOMCBKYQUBH-UHFFFAOYSA-N
XLogP3.42
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 162671709) is N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide is CNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)c3)cc21.
What is the InChIKey of N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is JPEQOMCBKYQUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-22-21(28)26-11-3-6-14-7-8-17(13-19(14)26)24-20(27)16-5-2-4-15(12-16)18-9-10-23-25-18/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,22,28)(H,23,25)(H,24,27).
What are the key properties of N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 162671709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).