2-amino-3H-quinazolin-4-one

C8H7N3O — CID 135403814

IUPAC2-amino-3H-quinazolin-4-one
SMILESNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C8H7N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H3,9,10,11,12)
InChIKeySDTFBAXSPXZDKC-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.51
Rot. Bonds

About 2-amino-3H-quinazolin-4-one

2-amino-3H-quinazolin-4-one (PubChem CID 135403814) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-amino-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-3H-quinazolin-4-one
PubChem CID135403814
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name2-amino-3H-quinazolin-4-one
SMILESNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C8H7N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H3,9,10,11,12)
InChIKeySDTFBAXSPXZDKC-UHFFFAOYSA-N
XLogP0.51
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4(1H)-Quinazolinone
CID 135408753
2-Methyl-4(3H)-quinazolinone
CID 135400457
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
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
5-Fluoroquinazolin-4-ol
CID 135495930
2-(Trifluoromethyl)-3,4-dihydroquinazolin-4-one
CID 135415531
Glycosminine
CID 135426527
2,6-Diaminoquinazolin-4-ol
CID 135413405
2-(propylamino)-4(3H)-quinazolinone
CID 135439661

Frequently Asked Questions

What is the IUPAC name of 2-amino-3H-quinazolin-4-one?
The IUPAC name of 2-amino-3H-quinazolin-4-one (CID 135403814) is 2-amino-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-3H-quinazolin-4-one is Nc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-amino-3H-quinazolin-4-one?
The InChIKey is SDTFBAXSPXZDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H3,9,10,11,12).
What are the key properties of 2-amino-3H-quinazolin-4-one?
2-amino-3H-quinazolin-4-one has a molecular weight of 161.16 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3H-quinazolin-4-one is sourced from PubChem (CID 135403814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).