5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one

C15H18ClNO3 — CID 170649665

IUPAC5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one
SMILESCCOC(OCC)c1cc(=O)c2c(Cl)cccc2n1C
InChIInChI=1S/C15H18ClNO3/c1-4-19-15(20-5-2)12-9-13(18)14-10(16)7-6-8-11(14)17(12)3/h6-9,15H,4-5H2,1-3H3
InChIKeyMWBBZGMBFZXFDL-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.26
Rot. Bonds5

About 5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one

5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one (PubChem CID 170649665) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one
PubChem CID170649665
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one
SMILESCCOC(OCC)c1cc(=O)c2c(Cl)cccc2n1C
InChIInChI=1S/C15H18ClNO3/c1-4-19-15(20-5-2)12-9-13(18)14-10(16)7-6-8-11(14)17(12)3/h6-9,15H,4-5H2,1-3H3
InChIKeyMWBBZGMBFZXFDL-UHFFFAOYSA-N
XLogP3.26
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one
CID 170649649
5-chloro-1-methylquinolin-4-one
CID 122129798
[(1R)-1-(5-chloro-3-iodo-1-methyl-4-oxoquinolin-2-yl)ethyl] acetate
CID 170649656
(2,6-dichlorophenyl)-ethoxymethanol
CID 22954642
5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 130205800
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
CID 119064447
sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)
CID 159773761
(2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
CID 126434222
[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] (2S)-2-amino-3-methylbutanoate
CID 130218265
sodium 5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-olate
CID 23697158
4-chloro-2-(ethoxymethyl)-1-methylindole
CID 117173476
1-(2,2-diethoxyethyl)quinolin-4-one
CID 63628929

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one?
The IUPAC name of 5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one (CID 170649665) is 5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one.
What is the SMILES notation for 5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one?
The canonical SMILES for 5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one is CCOC(OCC)c1cc(=O)c2c(Cl)cccc2n1C.
What is the InChIKey of 5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one?
The InChIKey is MWBBZGMBFZXFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-4-19-15(20-5-2)12-9-13(18)14-10(16)7-6-8-11(14)17(12)3/h6-9,15H,4-5H2,1-3H3.
What are the key properties of 5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one?
5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one has a molecular weight of 295.77 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(diethoxymethyl)-1-methylquinolin-4-one is sourced from PubChem (CID 170649665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).