8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one

C18H16N4O — CID 42886890

IUPAC8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cccc2c1NC(c1cnn(-c3ccccc3)c1)NC2=O
InChIInChI=1S/C18H16N4O/c1-12-6-5-9-15-16(12)20-17(21-18(15)23)13-10-19-22(11-13)14-7-3-2-4-8-14/h2-11,17,20H,1H3,(H,21,23)
InChIKeyZYNYDRISNIJMMP-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.03
Rot. Bonds2

About 8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one

8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 42886890) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID42886890
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cccc2c1NC(c1cnn(-c3ccccc3)c1)NC2=O
InChIInChI=1S/C18H16N4O/c1-12-6-5-9-15-16(12)20-17(21-18(15)23)13-10-19-22(11-13)14-7-3-2-4-8-14/h2-11,17,20H,1H3,(H,21,23)
InChIKeyZYNYDRISNIJMMP-UHFFFAOYSA-N
XLogP3.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one
CID 146124492
2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide
CID 42942471
4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole
CID 64687894
2-(2-methylphenyl)-4-[(1-phenylpyrazol-4-yl)methylidene]isoquinoline-1,3-dione
CID 9334478
2-ethyl-2-methyl-3-(1-phenylpyrazol-4-yl)cyclobutan-1-one
CID 81414983
1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole
CID 105484974
4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one
CID 114239573
1-methyl-5-(1-phenylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79510472
trans-(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 170910890
2-amino-1-methyl-4-(1-phenylpyrazol-4-yl)-5-(4-propan-2-ylphenyl)-4,5-dihydropyrimidin-6-one
CID 145461623
1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole
CID 105484973
2-[4-(4-methylpyrazol-1-yl)phenyl]isoindole-1,3-dione
CID 168518111

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (CID 42886890) is 8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one is Cc1cccc2c1NC(c1cnn(-c3ccccc3)c1)NC2=O.
What is the InChIKey of 8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is ZYNYDRISNIJMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-6-5-9-15-16(12)20-17(21-18(15)23)13-10-19-22(11-13)14-7-3-2-4-8-14/h2-11,17,20H,1H3,(H,21,23).
What are the key properties of 8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 304.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 42886890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).