1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone

C19H16ClNO3 — CID 162672729

IUPAC1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone
SMILESCOc1ccc2nc(C)cc(OCC(=O)c3cccc(Cl)c3)c2c1
InChIInChI=1S/C19H16ClNO3/c1-12-8-19(16-10-15(23-2)6-7-17(16)21-12)24-11-18(22)13-4-3-5-14(20)9-13/h3-10H,11H2,1-2H3
InChIKeySNXDJHDIXKVNFR-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.47
Rot. Bonds5

About 1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone

1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone (PubChem CID 162672729) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone
PubChem CID162672729
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone
SMILESCOc1ccc2nc(C)cc(OCC(=O)c3cccc(Cl)c3)c2c1
InChIInChI=1S/C19H16ClNO3/c1-12-8-19(16-10-15(23-2)6-7-17(16)21-12)24-11-18(22)13-4-3-5-14(20)9-13/h3-10H,11H2,1-2H3
InChIKeySNXDJHDIXKVNFR-UHFFFAOYSA-N
XLogP4.47
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-phenylethanone
CID 162664426
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone
CID 162667689
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(2-methoxyphenyl)ethanone
CID 162677128
N,N-diethyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 112787506
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 112787491
1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413925
N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 40711295
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 112787517
methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113571
N-(3-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 692374
3-[2-(3-chlorophenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760387
N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
CID 99835658

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone (CID 162672729) is 1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone is COc1ccc2nc(C)cc(OCC(=O)c3cccc(Cl)c3)c2c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone?
The InChIKey is SNXDJHDIXKVNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-12-8-19(16-10-15(23-2)6-7-17(16)21-12)24-11-18(22)13-4-3-5-14(20)9-13/h3-10H,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone?
1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone has a molecular weight of 341.79 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone is sourced from PubChem (CID 162672729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).