7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one

C18H16ClNO3 — CID 54735575

IUPAC7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one
SMILESCCc1cc(Cl)cc2[nH]c(=O)c(-c3cccc(O[11CH3])c3)c(O)c12
InChIInChI=1S/C18H16ClNO3/c1-3-10-7-12(19)9-14-15(10)17(21)16(18(22)20-14)11-5-4-6-13(8-11)23-2/h4-9H,3H2,1-2H3,(H2,20,21,22)/i2-1
InChIKeyJLWHBUOCRANDJB-JVVVGQRLSA-N
MW328.78 g/mol
LogP4.13
Rot. Bonds3

About 7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one

7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one (PubChem CID 54735575) has the molecular formula C18H16ClNO3 and a molecular weight of 328.78 g/mol. Its IUPAC name is 7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one
PubChem CID54735575
Molecular FormulaC18H16ClNO3
Molecular Weight328.78 g/mol
Exact Mass328.09
IUPAC Name7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one
SMILESCCc1cc(Cl)cc2[nH]c(=O)c(-c3cccc(O[11CH3])c3)c(O)c12
InChIInChI=1S/C18H16ClNO3/c1-3-10-7-12(19)9-14-15(10)17(21)16(18(22)20-14)11-5-4-6-13(8-11)23-2/h4-9H,3H2,1-2H3,(H2,20,21,22)/i2-1
InChIKeyJLWHBUOCRANDJB-JVVVGQRLSA-N
XLogP4.13
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one (CID 54735575) is 7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one is CCc1cc(Cl)cc2[nH]c(=O)c(-c3cccc(O[11CH3])c3)c(O)c12.
What is the InChIKey of 7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one?
The InChIKey is JLWHBUOCRANDJB-JVVVGQRLSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-3-10-7-12(19)9-14-15(10)17(21)16(18(22)20-14)11-5-4-6-13(8-11)23-2/h4-9H,3H2,1-2H3,(H2,20,21,22)/i2-1.
What are the key properties of 7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one?
7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one has a molecular weight of 328.78 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 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-(111C)methoxyphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 54735575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).