6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one

C9H8NO3P — CID 130443918

IUPAC6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(OP)c(O)cc12
InChIInChI=1S/C9H8NO3P/c11-7-1-2-10-6-4-9(13-14)8(12)3-5(6)7/h1-4,12H,14H2,(H,10,11)
InChIKeyYGYIXIBCPYTRGU-UHFFFAOYSA-N
MW209.14 g/mol
LogP1.40
Rot. Bonds1

About 6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one

6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one (PubChem CID 130443918) has the molecular formula C9H8NO3P and a molecular weight of 209.14 g/mol. Its IUPAC name is 6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one.

Molecular Properties

Compound Name6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one
PubChem CID130443918
Molecular FormulaC9H8NO3P
Molecular Weight209.14 g/mol
Exact Mass209.02
IUPAC Name6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(OP)c(O)cc12
InChIInChI=1S/C9H8NO3P/c11-7-1-2-10-6-4-9(13-14)8(12)3-5(6)7/h1-4,12H,14H2,(H,10,11)
InChIKeyYGYIXIBCPYTRGU-UHFFFAOYSA-N
XLogP1.40
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

6,7-dihydroxy-1H-quinolin-4-one
CID 19831784
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
7-chloro-6-methyl-1H-quinolin-4-one
CID 53418924
(4-oxo-1H-quinolin-6-yl)azanium
CID 135689638
6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine
CID 145257789
7-chloro-4-oxo-1H-quinoline-6-carbonitrile
CID 53418906
methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate
CID 67265186
methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate
CID 171864848
benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate
CID 58931364
benzene;1H-quinolin-4-one
CID 175272043
7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one
CID 71337771
7-cyclopropyl-1H-quinolin-4-one
CID 169178184

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one?
The IUPAC name of 6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one (CID 130443918) is 6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one.
What is the SMILES notation for 6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one?
The canonical SMILES for 6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one is O=c1cc[nH]c2cc(OP)c(O)cc12.
What is the InChIKey of 6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one?
The InChIKey is YGYIXIBCPYTRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NO3P/c11-7-1-2-10-6-4-9(13-14)8(12)3-5(6)7/h1-4,12H,14H2,(H,10,11).
What are the key properties of 6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one?
6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one has a molecular weight of 209.14 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one is sourced from PubChem (CID 130443918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).