1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone

C19H20ClNO2 — CID 139066762

IUPAC1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone
SMILESCc1cc(OCC(=O)c2ccc(Cl)cc2)nc2c1CCCCC2
InChIInChI=1S/C19H20ClNO2/c1-13-11-19(21-17-6-4-2-3-5-16(13)17)23-12-18(22)14-7-9-15(20)10-8-14/h7-11H,2-6,12H2,1H3
InChIKeyVOKLHYVIZVRBNI-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.57
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone

1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone (PubChem CID 139066762) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone
PubChem CID139066762
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone
SMILESCc1cc(OCC(=O)c2ccc(Cl)cc2)nc2c1CCCCC2
InChIInChI=1S/C19H20ClNO2/c1-13-11-19(21-17-6-4-2-3-5-16(13)17)23-12-18(22)14-7-9-15(20)10-8-14/h7-11H,2-6,12H2,1H3
InChIKeyVOKLHYVIZVRBNI-UHFFFAOYSA-N
XLogP4.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone with MolForge

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Related Compounds

Ethyl 2-{[6-(4-chlorophenyl)-3-cyano-4-(2-furyl)-2-pyridinyl]oxy}acetate
CID 2815322
4,6-Dimethyl-2-(2-oxo-2-phenylethoxy)pyridine-3-carbonitrile
CID 661430
2-[2-(4-Methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 950785
6-[4-(4-Chloro-phenyl)-6-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 10001576
6-[2-(4-Chlorophenyl)-2-oxoethoxy]-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 1919977
3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 4-chlorobenzenecarboxylate
CID 2767159
4,6-Dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile
CID 951167
(E)-1-(2,4-Dichlorophenyl)-3-(dimethylamino)-2-[(6-methyl-2-pyridyl)oxy]prop-2-en-1-one
CID 121305756
3-(4-Chlorophenyl)-4,5,7-trimethylpyrano[3,2-c]pyridin-2-one
CID 172436766
6-(4-Benzoylphenoxy)-3-chloro-pyridine-2-carbonitrile
CID 511932
2-[(3,5-Dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone
CID 162404419
Tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate
CID 58134329

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone (CID 139066762) is 1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone is Cc1cc(OCC(=O)c2ccc(Cl)cc2)nc2c1CCCCC2.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone?
The InChIKey is VOKLHYVIZVRBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-13-11-19(21-17-6-4-2-3-5-16(13)17)23-12-18(22)14-7-9-15(20)10-8-14/h7-11H,2-6,12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone?
1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone has a molecular weight of 329.83 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)oxy]ethanone is sourced from PubChem (CID 139066762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).