4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione

C17H8ClNO3 — CID 10448069

IUPAC4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione
SMILESO=C1c2cc3ccccc3c(O)c2C(=O)c2nccc(Cl)c21
InChIInChI=1S/C17H8ClNO3/c18-11-5-6-19-14-13(11)16(21)10-7-8-3-1-2-4-9(8)15(20)12(10)17(14)22/h1-7,20H
InChIKeyJKGDWHKLKLMQPO-UHFFFAOYSA-N
MW309.71 g/mol
LogP3.37
Rot. Bonds

About 4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione

4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione (PubChem CID 10448069) has the molecular formula C17H8ClNO3 and a molecular weight of 309.71 g/mol. Its IUPAC name is 4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione.

Molecular Properties

Compound Name4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione
PubChem CID10448069
Molecular FormulaC17H8ClNO3
Molecular Weight309.71 g/mol
Exact Mass309.02
IUPAC Name4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione
SMILESO=C1c2cc3ccccc3c(O)c2C(=O)c2nccc(Cl)c21
InChIInChI=1S/C17H8ClNO3/c18-11-5-6-19-14-13(11)16(21)10-7-8-3-1-2-4-9(8)15(20)12(10)17(14)22/h1-7,20H
InChIKeyJKGDWHKLKLMQPO-UHFFFAOYSA-N
XLogP3.37
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione?
The IUPAC name of 4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione (CID 10448069) is 4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione.
What is the SMILES notation for 4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione?
The canonical SMILES for 4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione is O=C1c2cc3ccccc3c(O)c2C(=O)c2nccc(Cl)c21.
What is the InChIKey of 4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione?
The InChIKey is JKGDWHKLKLMQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8ClNO3/c18-11-5-6-19-14-13(11)16(21)10-7-8-3-1-2-4-9(8)15(20)12(10)17(14)22/h1-7,20H.
What are the key properties of 4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione?
4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione has a molecular weight of 309.71 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-11-hydroxynaphtho[2,3-g]quinoline-5,12-dione is sourced from PubChem (CID 10448069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).