3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one

C9H7ClN2O3 — CID 144617842

IUPAC3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one
SMILESNc1c[nH]c2cc(O)c(O)c(Cl)c2c1=O
InChIInChI=1S/C9H7ClN2O3/c10-7-6-4(1-5(13)9(7)15)12-2-3(11)8(6)14/h1-2,13,15H,11H2,(H,12,14)
InChIKeyRDNXEZUBLSIGDU-UHFFFAOYSA-N
MW226.62 g/mol
LogP1.17
Rot. Bonds

About 3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one

3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one (PubChem CID 144617842) has the molecular formula C9H7ClN2O3 and a molecular weight of 226.62 g/mol. Its IUPAC name is 3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one
PubChem CID144617842
Molecular FormulaC9H7ClN2O3
Molecular Weight226.62 g/mol
Exact Mass226.01
IUPAC Name3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one
SMILESNc1c[nH]c2cc(O)c(O)c(Cl)c2c1=O
InChIInChI=1S/C9H7ClN2O3/c10-7-6-4(1-5(13)9(7)15)12-2-3(11)8(6)14/h1-2,13,15H,11H2,(H,12,14)
InChIKeyRDNXEZUBLSIGDU-UHFFFAOYSA-N
XLogP1.17
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one?
The IUPAC name of 3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one (CID 144617842) is 3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one.
What is the SMILES notation for 3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one?
The canonical SMILES for 3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one is Nc1c[nH]c2cc(O)c(O)c(Cl)c2c1=O.
What is the InChIKey of 3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one?
The InChIKey is RDNXEZUBLSIGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3/c10-7-6-4(1-5(13)9(7)15)12-2-3(11)8(6)14/h1-2,13,15H,11H2,(H,12,14).
What are the key properties of 3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one?
3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one has a molecular weight of 226.62 g/mol, XLogP of 1.17, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one is sourced from PubChem (CID 144617842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).