6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one

C17H19ClN2O2 — CID 100735436

IUPAC6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one
SMILESCC1CCN(C(=O)Cn2ccc(=O)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C17H19ClN2O2/c1-12-4-7-19(8-5-12)17(22)11-20-9-6-16(21)14-10-13(18)2-3-15(14)20/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3
InChIKeyHLKUJGUGRTVDME-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.91
Rot. Bonds2

About 6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one

6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one (PubChem CID 100735436) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one.

Molecular Properties

Compound Name6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one
PubChem CID100735436
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one
SMILESCC1CCN(C(=O)Cn2ccc(=O)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C17H19ClN2O2/c1-12-4-7-19(8-5-12)17(22)11-20-9-6-16(21)14-10-13(18)2-3-15(14)20/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3
InChIKeyHLKUJGUGRTVDME-UHFFFAOYSA-N
XLogP2.91
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one
CID 100735726
6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-4-one
CID 100742023
6-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one
CID 100735956
ethyl 1-[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]piperidine-4-carboxylate
CID 100742059
1-[2-(azepan-1-yl)-2-oxoethyl]-6-fluoroquinolin-4-one
CID 100743617
6-(4-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 30935730
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 100735074
7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one
CID 100739421
N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100734647
1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 71887294
N-(3-acetamidophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100735847

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one?
The IUPAC name of 6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one (CID 100735436) is 6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one.
What is the SMILES notation for 6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one?
The canonical SMILES for 6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one is CC1CCN(C(=O)Cn2ccc(=O)c3cc(Cl)ccc32)CC1.
What is the InChIKey of 6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one?
The InChIKey is HLKUJGUGRTVDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-4-7-19(8-5-12)17(22)11-20-9-6-16(21)14-10-13(18)2-3-15(14)20/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3.
What are the key properties of 6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one?
6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one has a molecular weight of 318.80 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one is sourced from PubChem (CID 100735436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).