8-phosphanyloxy-5-propyl-1H-quinolin-2-one

C12H14NO2P — CID 137382623

IUPAC8-phosphanyloxy-5-propyl-1H-quinolin-2-one
SMILESCCCc1ccc(OP)c2[nH]c(=O)ccc12
InChIInChI=1S/C12H14NO2P/c1-2-3-8-4-6-10(15-16)12-9(8)5-7-11(14)13-12/h4-7H,2-3,16H2,1H3,(H,13,14)
InChIKeyFYJGZQUNAWCVRG-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.65
Rot. Bonds3

About 8-phosphanyloxy-5-propyl-1H-quinolin-2-one

8-phosphanyloxy-5-propyl-1H-quinolin-2-one (PubChem CID 137382623) has the molecular formula C12H14NO2P and a molecular weight of 235.22 g/mol. Its IUPAC name is 8-phosphanyloxy-5-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name8-phosphanyloxy-5-propyl-1H-quinolin-2-one
PubChem CID137382623
Molecular FormulaC12H14NO2P
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name8-phosphanyloxy-5-propyl-1H-quinolin-2-one
SMILESCCCc1ccc(OP)c2[nH]c(=O)ccc12
InChIInChI=1S/C12H14NO2P/c1-2-3-8-4-6-10(15-16)12-9(8)5-7-11(14)13-12/h4-7H,2-3,16H2,1H3,(H,13,14)
InChIKeyFYJGZQUNAWCVRG-UHFFFAOYSA-N
XLogP2.65
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxyquinolin-2(1H)-one
CID 97250
5-[2-(dipropylamino)ethyl]-8-hydroxy-1H-quinolin-2-one
CID 20205476
8-hydroxy-5-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1H-quinolin-2-one
CID 44296669
8-hydroxy-5-[2-[2-phenylethyl(propyl)amino]ethyl]-1H-quinolin-2-one
CID 44296690
5-(2-aminoethyl)-8-hydroxyquinolin-2(1H)-one
CID 44296910
8-hydroxy-5-[2-[2-(4-hydroxyphenyl)ethylamino]ethyl]-1H-quinolin-2-one
CID 44296679
8-hydroxy-5-[2-hydroxy-1-(propan-2-ylamino)ethyl]-1H-quinolin-2-one
CID 135799865
1-Acetamido-2-naphthol
CID 67035
5-(2-aminoethyl)-8-methoxy-1H-quinolin-2-one
CID 19850147
N-(2-Methoxynaphthalen-1-yl) acetamide
CID 66549
5-[2-(dipropylamino)ethyl]-8-methoxy-1H-quinolin-2-one
CID 44296680
2(1H)-Quinolinone, 8-hydroxy-4-methyl-
CID 181983

Frequently Asked Questions

What is the IUPAC name of 8-phosphanyloxy-5-propyl-1H-quinolin-2-one?
The IUPAC name of 8-phosphanyloxy-5-propyl-1H-quinolin-2-one (CID 137382623) is 8-phosphanyloxy-5-propyl-1H-quinolin-2-one.
What is the SMILES notation for 8-phosphanyloxy-5-propyl-1H-quinolin-2-one?
The canonical SMILES for 8-phosphanyloxy-5-propyl-1H-quinolin-2-one is CCCc1ccc(OP)c2[nH]c(=O)ccc12.
What is the InChIKey of 8-phosphanyloxy-5-propyl-1H-quinolin-2-one?
The InChIKey is FYJGZQUNAWCVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO2P/c1-2-3-8-4-6-10(15-16)12-9(8)5-7-11(14)13-12/h4-7H,2-3,16H2,1H3,(H,13,14).
What are the key properties of 8-phosphanyloxy-5-propyl-1H-quinolin-2-one?
8-phosphanyloxy-5-propyl-1H-quinolin-2-one has a molecular weight of 235.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phosphanyloxy-5-propyl-1H-quinolin-2-one is sourced from PubChem (CID 137382623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).