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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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).