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

C27H24N4O2S — CID 2220885

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3n2)s1
InChIInChI=1S/C27H24N4O2S/c1-4-19-14-15-24(34-19)23-16-21(20-12-8-9-13-22(20)28-23)26(32)29-25-17(2)30(3)31(27(25)33)18-10-6-5-7-11-18/h5-16H,4H2,1-3H3,(H,29,32)
InChIKeyIROQAGCRMNIMKH-UHFFFAOYSA-N
MW468.58 g/mol
LogP5.58
Rot. Bonds5

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide (PubChem CID 2220885) has the molecular formula C27H24N4O2S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide
PubChem CID2220885
Molecular FormulaC27H24N4O2S
Molecular Weight468.58 g/mol
Exact Mass468.16
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3n2)s1
InChIInChI=1S/C27H24N4O2S/c1-4-19-14-15-24(34-19)23-16-21(20-12-8-9-13-22(20)28-23)26(32)29-25-17(2)30(3)31(27(25)33)18-10-6-5-7-11-18/h5-16H,4H2,1-3H3,(H,29,32)
InChIKeyIROQAGCRMNIMKH-UHFFFAOYSA-N
XLogP5.58
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-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-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2052939
2-(Thiophen-2-yl)quinoline-4-carbohydrazide
CID 5102481
N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide
CID 2525578
2-(5-methyl-2-thienyl)-N'-[1-(3-pyridinyl)ethylidene]-4-quinolinecarbohydrazide
CID 5454993
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]quinoline-4-carboxamide
CID 9654405
3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiophen-3-yl)quinoline-4-carboxamide
CID 53318420
3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiophen-2-yl)quinoline-4-carboxamide
CID 53323748
3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 1011328
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-methylphenyl)-4-quinolinecarboxamide
CID 1220156
N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1222926
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 1358604

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide (CID 2220885) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3n2)s1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide?
The InChIKey is IROQAGCRMNIMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2S/c1-4-19-14-15-24(34-19)23-16-21(20-12-8-9-13-22(20)28-23)26(32)29-25-17(2)30(3)31(27(25)33)18-10-6-5-7-11-18/h5-16H,4H2,1-3H3,(H,29,32).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2220885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).