3-amino-7-chloroquinazolin-4-one

C8H6ClN3O — CID 82275274

IUPAC3-amino-7-chloroquinazolin-4-one
SMILESNn1cnc2cc(Cl)ccc2c1=O
InChIInChI=1S/C8H6ClN3O/c9-5-1-2-6-7(3-5)11-4-12(10)8(6)13/h1-4H,10H2
InChIKeyICEGVCJOZALMND-UHFFFAOYSA-N
MW195.61 g/mol
LogP0.76
Rot. Bonds

About 3-amino-7-chloroquinazolin-4-one

3-amino-7-chloroquinazolin-4-one (PubChem CID 82275274) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-amino-7-chloroquinazolin-4-one.

Molecular Properties

Compound Name3-amino-7-chloroquinazolin-4-one
PubChem CID82275274
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name3-amino-7-chloroquinazolin-4-one
SMILESNn1cnc2cc(Cl)ccc2c1=O
InChIInChI=1S/C8H6ClN3O/c9-5-1-2-6-7(3-5)11-4-12(10)8(6)13/h1-4H,10H2
InChIKeyICEGVCJOZALMND-UHFFFAOYSA-N
XLogP0.76
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-7-chloroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,7-diaminoquinazolin-4-one
CID 123508601
3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride
CID 45371352
3-amino-7-chloro-1,2,3-benzotriazin-4-one
CID 171985660
7-chloro-3-(4-methylphenyl)quinazolin-4-one
CID 11334739
7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one
CID 17407106
7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 853041
3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
CID 121215575
7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one
CID 141114894
7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one
CID 34093322
7-chloro-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]quinazolin-4-one
CID 167976423
3-(1-aminoethyl)-6-chloroquinazolin-4-one
CID 117264019
3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-7-chloroquinazolin-4-one
CID 24528451

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-chloroquinazolin-4-one?
The IUPAC name of 3-amino-7-chloroquinazolin-4-one (CID 82275274) is 3-amino-7-chloroquinazolin-4-one.
What is the SMILES notation for 3-amino-7-chloroquinazolin-4-one?
The canonical SMILES for 3-amino-7-chloroquinazolin-4-one is Nn1cnc2cc(Cl)ccc2c1=O.
What is the InChIKey of 3-amino-7-chloroquinazolin-4-one?
The InChIKey is ICEGVCJOZALMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-5-1-2-6-7(3-5)11-4-12(10)8(6)13/h1-4H,10H2.
What are the key properties of 3-amino-7-chloroquinazolin-4-one?
3-amino-7-chloroquinazolin-4-one has a molecular weight of 195.61 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-chloroquinazolin-4-one is sourced from PubChem (CID 82275274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).