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

C28H24N4O2 — CID 1220156

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3n2)c1
InChIInChI=1S/C28H24N4O2/c1-18-10-9-11-20(16-18)25-17-23(22-14-7-8-15-24(22)29-25)27(33)30-26-19(2)31(3)32(28(26)34)21-12-5-4-6-13-21/h4-17H,1-3H3,(H,30,33)
InChIKeyMEWLWZBFKOASCO-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.26
Rot. Bonds4

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-methylphenyl)quinoline-4-carboxamide (PubChem CID 1220156) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-methylphenyl)quinoline-4-carboxamide
PubChem CID1220156
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3n2)c1
InChIInChI=1S/C28H24N4O2/c1-18-10-9-11-20(16-18)25-17-23(22-14-7-8-15-24(22)29-25)27(33)30-26-19(2)31(3)32(28(26)34)21-12-5-4-6-13-21/h4-17H,1-3H3,(H,30,33)
InChIKeyMEWLWZBFKOASCO-UHFFFAOYSA-N
XLogP5.26
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-methylphenyl)quinoline-4-carboxamide (CID 1220156) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-methylphenyl)quinoline-4-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3n2)c1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The InChIKey is MEWLWZBFKOASCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-18-10-9-11-20(16-18)25-17-23(22-14-7-8-15-24(22)29-25)27(33)30-26-19(2)31(3)32(28(26)34)21-12-5-4-6-13-21/h4-17H,1-3H3,(H,30,33).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-methylphenyl)quinoline-4-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-methylphenyl)quinoline-4-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 5.26, 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-(3-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1220156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).