(2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one

C24H19ClN4O — CID 9292068

IUPAC(2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)Nc2ccccc21
InChIInChI=1S/C24H19ClN4O/c25-20-12-6-4-10-17(20)14-29-15-19(22(28-29)16-8-2-1-3-9-16)23-26-21-13-7-5-11-18(21)24(30)27-23/h1-13,15,23,26H,14H2,(H,27,30)/t23-/m1/s1
InChIKeyCPZBWZTUOQCGGB-HSZRJFAPSA-N
MW414.90 g/mol
LogP5.11
Rot. Bonds4

About (2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one

(2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 9292068) has the molecular formula C24H19ClN4O and a molecular weight of 414.90 g/mol. Its IUPAC name is (2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
PubChem CID9292068
Molecular FormulaC24H19ClN4O
Molecular Weight414.90 g/mol
Exact Mass414.12
IUPAC Name(2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)Nc2ccccc21
InChIInChI=1S/C24H19ClN4O/c25-20-12-6-4-10-17(20)14-29-15-19(22(28-29)16-8-2-1-3-9-16)23-26-21-13-7-5-11-18(21)24(30)27-23/h1-13,15,23,26H,14H2,(H,27,30)/t23-/m1/s1
InChIKeyCPZBWZTUOQCGGB-HSZRJFAPSA-N
XLogP5.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.90
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 40632854
(2S)-2-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 41155134
1-[(2-chlorophenyl)methyl]-3-phenylpyrazole-4-carbaldehyde
CID 4961726
(2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 2407170
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine
CID 83203348
4-[[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]methyl-methylamino]butanoic acid
CID 119134544
1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine
CID 83203351
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 126418195
[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 17465173
2-[[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]methyl-methylamino]-N,N-dimethylacetamide
CID 167875649
(2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 94548593
(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 6924605

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (CID 9292068) is (2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one is O=C1N[C@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)Nc2ccccc21.
What is the InChIKey of (2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is CPZBWZTUOQCGGB-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H19ClN4O/c25-20-12-6-4-10-17(20)14-29-15-19(22(28-29)16-8-2-1-3-9-16)23-26-21-13-7-5-11-18(21)24(30)27-23/h1-13,15,23,26H,14H2,(H,27,30)/t23-/m1/s1.
What are the key properties of (2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
(2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 414.90 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 9292068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).