6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one

C24H19ClN4O3 — CID 41074504

IUPAC6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1ccc(C2=NN(C(=O)Cn3cnc4ccc(Cl)cc4c3=O)[C@@H](c3ccco3)C2)cc1
InChIInChI=1S/C24H19ClN4O3/c1-15-4-6-16(7-5-15)20-12-21(22-3-2-10-32-22)29(27-20)23(30)13-28-14-26-19-9-8-17(25)11-18(19)24(28)31/h2-11,14,21H,12-13H2,1H3/t21-/m1/s1
InChIKeyWGSAVEBJCBGYGP-OAQYLSRUSA-N
MW446.89 g/mol
LogP4.33
Rot. Bonds4

About 6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one

6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 41074504) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is 6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID41074504
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC Name6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1ccc(C2=NN(C(=O)Cn3cnc4ccc(Cl)cc4c3=O)[C@@H](c3ccco3)C2)cc1
InChIInChI=1S/C24H19ClN4O3/c1-15-4-6-16(7-5-15)20-12-21(22-3-2-10-32-22)29(27-20)23(30)13-28-14-26-19-9-8-17(25)11-18(19)24(28)31/h2-11,14,21H,12-13H2,1H3/t21-/m1/s1
InChIKeyWGSAVEBJCBGYGP-OAQYLSRUSA-N
XLogP4.33
TPSA80.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
CID 18147627
2-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]isoquinolin-1-one
CID 41131559
7-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 40919725
(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 7179869
2-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]isoindole-1,3-dione
CID 7960044
1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylphenoxy)ethanone
CID 7788818
1-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-nitropyridin-2-one
CID 7890236
1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 3791502
1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 25420039
3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 45029538
1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethanone
CID 4125942
1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethanone
CID 25399663

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one (CID 41074504) is 6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one is Cc1ccc(C2=NN(C(=O)Cn3cnc4ccc(Cl)cc4c3=O)[C@@H](c3ccco3)C2)cc1.
What is the InChIKey of 6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is WGSAVEBJCBGYGP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c1-15-4-6-16(7-5-15)20-12-21(22-3-2-10-32-22)29(27-20)23(30)13-28-14-26-19-9-8-17(25)11-18(19)24(28)31/h2-11,14,21H,12-13H2,1H3/t21-/m1/s1.
What are the key properties of 6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one?
6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 446.89 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 41074504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).