N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide

C27H22N4O2 — CID 4059213

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C27H22N4O2/c1-18-25(27(33)31(30(18)2)20-13-7-4-8-14-20)29-26(32)22-17-24(19-11-5-3-6-12-19)28-23-16-10-9-15-21(22)23/h3-17H,1-2H3,(H,29,32)
InChIKeyTVYOZMHVVVTKLT-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.95
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 4059213) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide
PubChem CID4059213
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C27H22N4O2/c1-18-25(27(33)31(30(18)2)20-13-7-4-8-14-20)29-26(32)22-17-24(19-11-5-3-6-12-19)28-23-16-10-9-15-21(22)23/h3-17H,1-2H3,(H,29,32)
InChIKeyTVYOZMHVVVTKLT-UHFFFAOYSA-N
XLogP4.95
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-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

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide (CID 4059213) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide is Cc1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is TVYOZMHVVVTKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c1-18-25(27(33)31(30(18)2)20-13-7-4-8-14-20)29-26(32)22-17-24(19-11-5-3-6-12-19)28-23-16-10-9-15-21(22)23/h3-17H,1-2H3,(H,29,32).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4059213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).