8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one

C19H18ClNO3 — CID 58465289

IUPAC8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc(Cl)c2[nH]cc(-c3ccc(OC)cc3)c(=O)c12
InChIInChI=1S/C19H18ClNO3/c1-3-10-24-16-9-8-15(20)18-17(16)19(22)14(11-21-18)12-4-6-13(23-2)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,21,22)
InChIKeyOGCMTMSWLHDGRL-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.65
Rot. Bonds5

About 8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one

8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one (PubChem CID 58465289) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one
PubChem CID58465289
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc(Cl)c2[nH]cc(-c3ccc(OC)cc3)c(=O)c12
InChIInChI=1S/C19H18ClNO3/c1-3-10-24-16-9-8-15(20)18-17(16)19(22)14(11-21-18)12-4-6-13(23-2)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,21,22)
InChIKeyOGCMTMSWLHDGRL-UHFFFAOYSA-N
XLogP4.65
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one
CID 58465292
3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one
CID 58465317
8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 25165676
5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
CID 66917298
methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate
CID 66917193
5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
CID 58492441
5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one
CID 58465310
7-chloro-3-ethyl-4-methoxy-1H-indole
CID 131972081
8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide
CID 58465318
5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one
CID 58465340
4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide
CID 123719026
1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one
CID 66917324

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one?
The IUPAC name of 8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one (CID 58465289) is 8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one is CCCOc1ccc(Cl)c2[nH]cc(-c3ccc(OC)cc3)c(=O)c12.
What is the InChIKey of 8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one?
The InChIKey is OGCMTMSWLHDGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-3-10-24-16-9-8-15(20)18-17(16)19(22)14(11-21-18)12-4-6-13(23-2)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,21,22).
What are the key properties of 8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one?
8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one has a molecular weight of 343.81 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one is sourced from PubChem (CID 58465289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).