(2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one

C24H19ClN4O — CID 1277249

IUPAC(2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C24H19ClN4O/c1-16-21(22(25)29(27-16)18-12-6-3-7-13-18)23-26-20-15-9-8-14-19(20)24(30)28(23)17-10-4-2-5-11-17/h2-15,23,26H,1H3/t23-/m0/s1
InChIKeyLFOUUAMYIOWYLU-QHCPKHFHSA-N
MW414.90 g/mol
LogP5.61
Rot. Bonds3

About (2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one

(2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 1277249) has the molecular formula C24H19ClN4O and a molecular weight of 414.90 g/mol. Its IUPAC name is (2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID1277249
Molecular FormulaC24H19ClN4O
Molecular Weight414.90 g/mol
Exact Mass414.12
IUPAC Name(2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C24H19ClN4O/c1-16-21(22(25)29(27-16)18-12-6-3-7-13-18)23-26-20-15-9-8-14-19(20)24(30)28(23)17-10-4-2-5-11-17/h2-15,23,26H,1H3/t23-/m0/s1
InChIKeyLFOUUAMYIOWYLU-QHCPKHFHSA-N
XLogP5.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.90
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one (CID 1277249) is (2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one is Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1c1ccccc1.
What is the InChIKey of (2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is LFOUUAMYIOWYLU-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H19ClN4O/c1-16-21(22(25)29(27-16)18-12-6-3-7-13-18)23-26-20-15-9-8-14-19(20)24(30)28(23)17-10-4-2-5-11-17/h2-15,23,26H,1H3/t23-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one?
(2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 414.90 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 1277249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).