2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one

C23H17ClN4O — CID 177409957

IUPAC2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one
SMILESCC1=NN(c2ccc(Cl)cc2)C(=O)C12N=C(c1ccccc1)c1ccccc1N2
InChIInChI=1S/C23H17ClN4O/c1-15-23(22(29)28(27-15)18-13-11-17(24)12-14-18)25-20-10-6-5-9-19(20)21(26-23)16-7-3-2-4-8-16/h2-14,25H,1H3
InChIKeyQDYDPYNKCDTUNW-UHFFFAOYSA-N
MW400.87 g/mol
LogP4.72
Rot. Bonds2

About 2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one

2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one (PubChem CID 177409957) has the molecular formula C23H17ClN4O and a molecular weight of 400.87 g/mol. Its IUPAC name is 2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one.

Molecular Properties

Compound Name2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one
PubChem CID177409957
Molecular FormulaC23H17ClN4O
Molecular Weight400.87 g/mol
Exact Mass400.11
IUPAC Name2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one
SMILESCC1=NN(c2ccc(Cl)cc2)C(=O)C12N=C(c1ccccc1)c1ccccc1N2
InChIInChI=1S/C23H17ClN4O/c1-15-23(22(29)28(27-15)18-13-11-17(24)12-14-18)25-20-10-6-5-9-19(20)21(26-23)16-7-3-2-4-8-16/h2-14,25H,1H3
InChIKeyQDYDPYNKCDTUNW-UHFFFAOYSA-N
XLogP4.72
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one 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

4,4-dichloro-5-methyl-2-phenylpyrazol-3-one
CID 847413
(5S,6S)-1,10-dimethyl-3,8,11-triphenyl-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,9-diene-4,7-dione
CID 27234903
(5R,6R)-1,10-dimethyl-3,8,11-triphenyl-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,9-diene-4,7-dione
CID 27234906
(2S)-2-(chloromethyl)-3-(4-chlorophenyl)-2-methyl-1H-quinazolin-4-one
CID 6930585
4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one
CID 43834929
1-(4-chlorophenyl)-3-(4-ethyl-3-methyl-5-oxo-1-phenylpyrazol-4-yl)pyrrolidine-2,5-dione
CID 56965008
(4aS,5S)-3-benzyl-2'-(4-chlorophenyl)-5'-methylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one
CID 92823727
3-(4-chlorophenyl)-6-methyl-2-oxido-8-phenyl-1-oxa-7,8-diaza-2-azoniaspiro[4.4]nona-2,6-dien-9-one
CID 177478452
ethyl (5E)-4-(4-chlorophenyl)-5-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)-1,3,4-thiadiazole-2-carboxylate
CID 2816223
(5S,6R)-1,7-dimethyl-3,9-diphenyl-11-oxa-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,7-diene-4,10-dione
CID 27234921
(2S)-5'-methyl-2'-phenylspiro[1-benzothiophene-2,4'-pyrazole]-3,3'-dione
CID 7714795
3-(2-chlorophenyl)-6-methyl-8-phenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one
CID 11809953

Frequently Asked Questions

What is the IUPAC name of 2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one?
The IUPAC name of 2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one (CID 177409957) is 2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one.
What is the SMILES notation for 2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one?
The canonical SMILES for 2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one is CC1=NN(c2ccc(Cl)cc2)C(=O)C12N=C(c1ccccc1)c1ccccc1N2.
What is the InChIKey of 2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one?
The InChIKey is QDYDPYNKCDTUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O/c1-15-23(22(29)28(27-15)18-13-11-17(24)12-14-18)25-20-10-6-5-9-19(20)21(26-23)16-7-3-2-4-8-16/h2-14,25H,1H3.
What are the key properties of 2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one?
2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one has a molecular weight of 400.87 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-chlorophenyl)-5'-methyl-4-phenylspiro[1H-quinazoline-2,4'-pyrazole]-3'-one is sourced from PubChem (CID 177409957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).