2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide

C29H25FN4O — CID 46323443

IUPAC2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)NCC(C)c3ccccc3)c3ccccc3n2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C29H25FN4O/c1-19(21-8-4-3-5-9-21)17-31-29(35)25-16-28(33-27-11-7-6-10-24(25)27)26-18-32-34(20(26)2)23-14-12-22(30)13-15-23/h3-16,18-19H,17H2,1-2H3,(H,31,35)
InChIKeyAQHNQUJFQSNOLB-UHFFFAOYSA-N
MW464.54 g/mol
LogP6.07
Rot. Bonds6

About 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide

2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide (PubChem CID 46323443) has the molecular formula C29H25FN4O and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide
PubChem CID46323443
Molecular FormulaC29H25FN4O
Molecular Weight464.54 g/mol
Exact Mass464.20
IUPAC Name2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)NCC(C)c3ccccc3)c3ccccc3n2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C29H25FN4O/c1-19(21-8-4-3-5-9-21)17-31-29(35)25-16-28(33-27-11-7-6-10-24(25)27)26-18-32-34(20(26)2)23-14-12-22(30)13-15-23/h3-16,18-19H,17H2,1-2H3,(H,31,35)
InChIKeyAQHNQUJFQSNOLB-UHFFFAOYSA-N
XLogP6.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)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

2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323440
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(3-phenylpropyl)quinoline-4-carboxamide
CID 46323420
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 50779202
N-[2-(4-chlorophenyl)ethyl]-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323406
N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323415
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 92869383
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 46323352
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 50779234
N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323419
N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323522
N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323493
N-(2-ethylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323489

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide (CID 46323443) is 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide is Cc1c(-c2cc(C(=O)NCC(C)c3ccccc3)c3ccccc3n2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide?
The InChIKey is AQHNQUJFQSNOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O/c1-19(21-8-4-3-5-9-21)17-31-29(35)25-16-28(33-27-11-7-6-10-24(25)27)26-18-32-34(20(26)2)23-14-12-22(30)13-15-23/h3-16,18-19H,17H2,1-2H3,(H,31,35).
What are the key properties of 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide?
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 46323443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).