6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one

C23H24ClNO4 — CID 57398055

IUPAC6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
SMILESCc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C23H24ClNO4/c1-15-22(25-21-6-5-17(24)11-20(21)23(15)26)14-29-19-4-2-3-18(12-19)28-13-16-7-9-27-10-8-16/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,25,26)
InChIKeyOLIKWRPYTRHRMV-UHFFFAOYSA-N
MW413.90 g/mol
LogP4.87
Rot. Bonds6

About 6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one

6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one (PubChem CID 57398055) has the molecular formula C23H24ClNO4 and a molecular weight of 413.90 g/mol. Its IUPAC name is 6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
PubChem CID57398055
Molecular FormulaC23H24ClNO4
Molecular Weight413.90 g/mol
Exact Mass413.14
IUPAC Name6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
SMILESCc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C23H24ClNO4/c1-15-22(25-21-6-5-17(24)11-20(21)23(15)26)14-29-19-4-2-3-18(12-19)28-13-16-7-9-27-10-8-16/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,25,26)
InChIKeyOLIKWRPYTRHRMV-UHFFFAOYSA-N
XLogP4.87
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one
CID 11778710
3-methyl-2-{[3-(tetrahydro-2H-pyran-4-ylmethoxy)phenoxy]methyl}quinolin-4(1H)-one
CID 25222164
3-methyl-2-[[3-(4,4,4-trifluorobutoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57392771
2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-3-propan-2-yl-1H-quinolin-4-one
CID 57392772
3-chloro-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57394498
6-fluoro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57394499
2-[(3-butoxyphenoxy)methyl]-3-methyl-1H-quinolin-4-one
CID 57399710
6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57399711
2-[[3-(3-methoxy-3-methylbutoxy)phenoxy]methyl]-3-methyl-1H-quinolin-4-one
CID 57401476
6-bromo-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57401477
3,6-dimethyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57403213
N-(2-benzoyl-4-chlorophenyl)-2-phenoxyacetamide
CID 1019206

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one (CID 57398055) is 6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one is Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
The InChIKey is OLIKWRPYTRHRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO4/c1-15-22(25-21-6-5-17(24)11-20(21)23(15)26)14-29-19-4-2-3-18(12-19)28-13-16-7-9-27-10-8-16/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,25,26).
What are the key properties of 6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one?
6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one has a molecular weight of 413.90 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 57398055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).