3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one

C24H26N4O2 — CID 17174932

IUPAC3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C1Nc2ccccc2C(=O)N1C1CCCCC1
InChIInChI=1S/C24H26N4O2/c1-16-21(24(30)28(26-16)18-12-6-3-7-13-18)22-25-20-15-9-8-14-19(20)23(29)27(22)17-10-4-2-5-11-17/h3,6-9,12-15,17,22,25-26H,2,4-5,10-11H2,1H3
InChIKeyJUBIOVXAWQAWTD-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.37
Rot. Bonds3

About 3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one

3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 17174932) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID17174932
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C1Nc2ccccc2C(=O)N1C1CCCCC1
InChIInChI=1S/C24H26N4O2/c1-16-21(24(30)28(26-16)18-12-6-3-7-13-18)22-25-20-15-9-8-14-19(20)23(29)27(22)17-10-4-2-5-11-17/h3,6-9,12-15,17,22,25-26H,2,4-5,10-11H2,1H3
InChIKeyJUBIOVXAWQAWTD-UHFFFAOYSA-N
XLogP4.37
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 17174932) is 3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one is Cc1[nH]n(-c2ccccc2)c(=O)c1C1Nc2ccccc2C(=O)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is JUBIOVXAWQAWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-21(24(30)28(26-16)18-12-6-3-7-13-18)22-25-20-15-9-8-14-19(20)23(29)27(22)17-10-4-2-5-11-17/h3,6-9,12-15,17,22,25-26H,2,4-5,10-11H2,1H3.
What are the key properties of 3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 402.50 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 17174932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).