3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one

C18H14N4O — CID 164522423

IUPAC3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one
SMILESCn1cnc2ccc(-c3cc(-c4ccccc4)[nH]n3)cc2c1=O
InChIInChI=1S/C18H14N4O/c1-22-11-19-15-8-7-13(9-14(15)18(22)23)17-10-16(20-21-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
InChIKeyKHRMUZONDUNAPR-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.99
Rot. Bonds2

About 3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one

3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one (PubChem CID 164522423) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one
PubChem CID164522423
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one
SMILESCn1cnc2ccc(-c3cc(-c4ccccc4)[nH]n3)cc2c1=O
InChIInChI=1S/C18H14N4O/c1-22-11-19-15-8-7-13(9-14(15)18(22)23)17-10-16(20-21-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
InChIKeyKHRMUZONDUNAPR-UHFFFAOYSA-N
XLogP2.99
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 166273309
[5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate
CID 175730827
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
6-tert-butyl-3-methylquinazolin-4-one
CID 59391740
3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide
CID 75489933
1-methyl-6-phenylbenzimidazole
CID 135028518
4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol
CID 136610688
3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one
CID 155594064
1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone
CID 155037922
3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid
CID 118577360
3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 948701
6-phenyl-3H-quinazolin-4-one
CID 135741302

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one?
The IUPAC name of 3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one (CID 164522423) is 3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one.
What is the SMILES notation for 3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one?
The canonical SMILES for 3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one is Cn1cnc2ccc(-c3cc(-c4ccccc4)[nH]n3)cc2c1=O.
What is the InChIKey of 3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one?
The InChIKey is KHRMUZONDUNAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-22-11-19-15-8-7-13(9-14(15)18(22)23)17-10-16(20-21-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21).
What are the key properties of 3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one?
3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one has a molecular weight of 302.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one is sourced from PubChem (CID 164522423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).