5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one

C11H13N2O3P — CID 90805801

IUPAC5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one
SMILESNCC(OP)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C11H13N2O3P/c12-5-9(16-17)6-1-3-8(14)11-7(6)2-4-10(15)13-11/h1-4,9,14H,5,12,17H2,(H,13,15)
InChIKeyHQSURESHLFCOSP-UHFFFAOYSA-N
MW252.21 g/mol
LogP1.04
Rot. Bonds3

About 5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one

5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one (PubChem CID 90805801) has the molecular formula C11H13N2O3P and a molecular weight of 252.21 g/mol. Its IUPAC name is 5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one
PubChem CID90805801
Molecular FormulaC11H13N2O3P
Molecular Weight252.21 g/mol
Exact Mass252.07
IUPAC Name5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one
SMILESNCC(OP)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C11H13N2O3P/c12-5-9(16-17)6-1-3-8(14)11-7(6)2-4-10(15)13-11/h1-4,9,14H,5,12,17H2,(H,13,15)
InChIKeyHQSURESHLFCOSP-UHFFFAOYSA-N
XLogP1.04
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 122698087
5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride
CID 70411670
8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
CID 143600392
5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 10827434
8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
CID 100988088
5-bromo-8-hydroxy-1H-quinolin-2-one
CID 71742507
tert-butyl N-(3-aminopropyl)-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate
CID 154636752
8-hydroxy-5-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
CID 688561
[(1R,2S)-1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)butan-2-yl]-propan-2-ylazanium
CID 6921794
5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 91244472
bis(8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one);hydrate;dihydrochloride
CID 66958037
5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one
CID 145136094

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one?
The IUPAC name of 5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one (CID 90805801) is 5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one is NCC(OP)c1ccc(O)c2[nH]c(=O)ccc12.
What is the InChIKey of 5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one?
The InChIKey is HQSURESHLFCOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2O3P/c12-5-9(16-17)6-1-3-8(14)11-7(6)2-4-10(15)13-11/h1-4,9,14H,5,12,17H2,(H,13,15).
What are the key properties of 5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one?
5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one has a molecular weight of 252.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 90805801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).