2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one

C18H14N4O — CID 168550950

IUPAC2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc(Cn3cccn3)c2)nc2ccccc12
InChIInChI=1S/C18H14N4O/c23-18-15-7-1-2-8-16(15)20-17(21-18)14-6-3-5-13(11-14)12-22-10-4-9-19-22/h1-11H,12H2,(H,20,21,23)
InChIKeyXGWJPRXZCZGOEG-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.83
Rot. Bonds3

About 2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one

2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one (PubChem CID 168550950) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one
PubChem CID168550950
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc(Cn3cccn3)c2)nc2ccccc12
InChIInChI=1S/C18H14N4O/c23-18-15-7-1-2-8-16(15)20-17(21-18)14-6-3-5-13(11-14)12-22-10-4-9-19-22/h1-11H,12H2,(H,20,21,23)
InChIKeyXGWJPRXZCZGOEG-UHFFFAOYSA-N
XLogP2.83
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one
CID 168551234
2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one
CID 168553073
2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid
CID 168551369
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
3-[3-(pyrazol-1-ylmethyl)phenyl]benzoic acid
CID 142326100
2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one
CID 168551596
2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one
CID 168553065
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323
2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168551800
2-[3-(2-methylpropylsulfanyl)phenyl]-3H-quinazolin-4-one
CID 168551121
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 135667533
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one (CID 168550950) is 2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2cccc(Cn3cccn3)c2)nc2ccccc12.
What is the InChIKey of 2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is XGWJPRXZCZGOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-18-15-7-1-2-8-16(15)20-17(21-18)14-6-3-5-13(11-14)12-22-10-4-9-19-22/h1-11H,12H2,(H,20,21,23).
What are the key properties of 2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one?
2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 302.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168550950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).