N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide

C11H11ClN2O3 — CID 23064252

IUPACN-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)c2c(c1O)CCC(=O)N2
InChIInChI=1S/C11H11ClN2O3/c1-5(15)13-8-4-7(12)10-6(11(8)17)2-3-9(16)14-10/h4,17H,2-3H2,1H3,(H,13,15)(H,14,16)
InChIKeyMYSMAUDBNWSGQB-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.89
Rot. Bonds1

About N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide

N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide (PubChem CID 23064252) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
PubChem CID23064252
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC NameN-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)c2c(c1O)CCC(=O)N2
InChIInChI=1S/C11H11ClN2O3/c1-5(15)13-8-4-7(12)10-6(11(8)17)2-3-9(16)14-10/h4,17H,2-3H2,1H3,(H,13,15)(H,14,16)
InChIKeyMYSMAUDBNWSGQB-UHFFFAOYSA-N
XLogP1.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The IUPAC name of N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide (CID 23064252) is N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide.
What is the SMILES notation for N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The canonical SMILES for N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide is CC(=O)Nc1cc(Cl)c2c(c1O)CCC(=O)N2.
What is the InChIKey of N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The InChIKey is MYSMAUDBNWSGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-5(15)13-8-4-7(12)10-6(11(8)17)2-3-9(16)14-10/h4,17H,2-3H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide has a molecular weight of 254.67 g/mol, XLogP of 1.89, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide is sourced from PubChem (CID 23064252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).