7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one

C18H17ClN2O2 — CID 54735565

IUPAC7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one
SMILESCCc1cc(Cl)cc2[nH]c(=O)c(-c3cccc(NC)c3)c(O)c12
InChIInChI=1S/C18H17ClN2O2/c1-3-10-7-12(19)9-14-15(10)17(22)16(18(23)21-14)11-5-4-6-13(8-11)20-2/h4-9,20H,3H2,1-2H3,(H2,21,22,23)
InChIKeyODXMHHPLZFLZEV-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.16
Rot. Bonds3

About 7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one

7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one (PubChem CID 54735565) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one
PubChem CID54735565
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one
SMILESCCc1cc(Cl)cc2[nH]c(=O)c(-c3cccc(NC)c3)c(O)c12
InChIInChI=1S/C18H17ClN2O2/c1-3-10-7-12(19)9-14-15(10)17(22)16(18(23)21-14)11-5-4-6-13(8-11)20-2/h4-9,20H,3H2,1-2H3,(H2,21,22,23)
InChIKeyODXMHHPLZFLZEV-UHFFFAOYSA-N
XLogP4.16
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenyl-4-hydroxy-7-chloroquinolin-2(1H)-one
CID 54697468
(7-Chloro-2,4-dihydroxyquinolin-3-yl)(phenyl)methanone
CID 135470372
5,7-dichloro-4-hydroxy-3-phenyl-1H-quinolin-2-one
CID 54710618
3-(3-benzylaminophenyl)-7-chloro-4-hydroxy-2(1H)-quinolone
CID 54710935
7-chloro-4-hydroxy-3-[3-[[4-(methylamino)phenyl]methyl]phenyl]-1H-quinolin-2-one
CID 54735572
N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 54686746
N-(2-(4-Chlorophenyl)ethyl)-1,2-dihydro-4-hydroxy-2-oxo-1-propyl-3-quinolinecarboxamide
CID 54704913
7-chloro-4-hydroxy-3-(3-methylphenyl)-2(1H)-quinolone
CID 54680418
7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one
CID 54683875
7-chloro-5-ethyl-4-hydroxy-3-phenyl-1H-quinolin-2-one
CID 54690797
3-(3-benzylphenyl)-7-chloro-4-hydroxy-2(1H)-quinolone
CID 54699137
7-chloro-4-hydroxy-3-(4-methylphenyl)-2(1H)-quinolone
CID 54704580

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one (CID 54735565) is 7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one is CCc1cc(Cl)cc2[nH]c(=O)c(-c3cccc(NC)c3)c(O)c12.
What is the InChIKey of 7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one?
The InChIKey is ODXMHHPLZFLZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-3-10-7-12(19)9-14-15(10)17(22)16(18(23)21-14)11-5-4-6-13(8-11)20-2/h4-9,20H,3H2,1-2H3,(H2,21,22,23).
What are the key properties of 7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one?
7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one has a molecular weight of 328.80 g/mol, XLogP of 4.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 54735565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).