7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one

C19H16ClN3O3 — CID 70947515

IUPAC7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCNc1c2c(c(O)c3ncccc13)C(=O)N(Cc1cc(Cl)ccc1O)C2
InChIInChI=1S/C19H16ClN3O3/c1-21-16-12-3-2-6-22-17(12)18(25)15-13(16)9-23(19(15)26)8-10-7-11(20)4-5-14(10)24/h2-7,21,24-25H,8-9H2,1H3
InChIKeyLUWJNFDTKFMLNS-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.50
Rot. Bonds3

About 7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one

7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 70947515) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID70947515
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCNc1c2c(c(O)c3ncccc13)C(=O)N(Cc1cc(Cl)ccc1O)C2
InChIInChI=1S/C19H16ClN3O3/c1-21-16-12-3-2-6-22-17(12)18(25)15-13(16)9-23(19(15)26)8-10-7-11(20)4-5-14(10)24/h2-7,21,24-25H,8-9H2,1H3
InChIKeyLUWJNFDTKFMLNS-UHFFFAOYSA-N
XLogP3.50
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-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 7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one (CID 70947515) is 7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one is CNc1c2c(c(O)c3ncccc13)C(=O)N(Cc1cc(Cl)ccc1O)C2.
What is the InChIKey of 7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is LUWJNFDTKFMLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-21-16-12-3-2-6-22-17(12)18(25)15-13(16)9-23(19(15)26)8-10-7-11(20)4-5-14(10)24/h2-7,21,24-25H,8-9H2,1H3.
What are the key properties of 7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one?
7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 369.81 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-chloro-2-hydroxyphenyl)methyl]-9-hydroxy-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 70947515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).