3H-quinazolin-4-one

C8H6N2O — CID 135408753

IUPAC3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccccc12
InChIInChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
InChIKeyQMNUDYFKZYBWQX-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.92
Rot. Bonds

About 3H-quinazolin-4-one

3H-quinazolin-4-one (PubChem CID 135408753) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 3H-quinazolin-4-one.

Molecular Properties

Compound Name3H-quinazolin-4-one
PubChem CID135408753
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccccc12
InChIInChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
InChIKeyQMNUDYFKZYBWQX-UHFFFAOYSA-N
XLogP0.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4(3H)-quinazolinone
CID 135400457
2-Amino-N-isopropylbenzamide
CID 94411
2-Amino-3,4-dihydroquinazolin-4-one
CID 135403814
7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
CID 78144
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
Deoxyvasicinone
CID 68261
2-Propoxy-3-propyl-4(3H)-quinazolinone
CID 11770728
ME0328
CID 135566764
3-Methyl-4(3H)-quinazolinone
CID 17088
6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
Glycorine
CID 18992
2-Hydrazinyl-3-methyl-3,4-dihydroquinazolin-4-one
CID 376484

Frequently Asked Questions

What is the IUPAC name of 3H-quinazolin-4-one?
The IUPAC name of 3H-quinazolin-4-one (CID 135408753) is 3H-quinazolin-4-one.
What is the SMILES notation for 3H-quinazolin-4-one?
The canonical SMILES for 3H-quinazolin-4-one is O=c1[nH]cnc2ccccc12.
What is the InChIKey of 3H-quinazolin-4-one?
The InChIKey is QMNUDYFKZYBWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11).
What are the key properties of 3H-quinazolin-4-one?
3H-quinazolin-4-one has a molecular weight of 146.15 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-quinazolin-4-one is sourced from PubChem (CID 135408753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).