3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one

C18H21ClN2O2 — CID 127052342

IUPAC3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one
SMILESCCn1cc(C(C)=O)c(=O)c2cc(N3CCCCC3)c(Cl)cc21
InChIInChI=1S/C18H21ClN2O2/c1-3-20-11-14(12(2)22)18(23)13-9-17(15(19)10-16(13)20)21-7-5-4-6-8-21/h9-11H,3-8H2,1-2H3
InChIKeyRFNDZMGJIMJOCM-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.87
Rot. Bonds3

About 3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one

3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one (PubChem CID 127052342) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one.

Molecular Properties

Compound Name3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one
PubChem CID127052342
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one
SMILESCCn1cc(C(C)=O)c(=O)c2cc(N3CCCCC3)c(Cl)cc21
InChIInChI=1S/C18H21ClN2O2/c1-3-20-11-14(12(2)22)18(23)13-9-17(15(19)10-16(13)20)21-7-5-4-6-8-21/h9-11H,3-8H2,1-2H3
InChIKeyRFNDZMGJIMJOCM-UHFFFAOYSA-N
XLogP3.87
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one with MolForge

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Related Compounds

6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 12944899
ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate
CID 141190210
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate
CID 141190183
6-chloro-1-ethyl-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]quinoline-3-carboxylic acid
CID 13320450
1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid
CID 15797326
1-ethyl-6-iodo-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 102122995
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
3-acetyl-1,6-diethylquinolin-4-one
CID 58801712
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
1-ethyl-6-fluoro-4-oxo-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 15097881
7-[4-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10481296

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one?
The IUPAC name of 3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one (CID 127052342) is 3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one.
What is the SMILES notation for 3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one?
The canonical SMILES for 3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one is CCn1cc(C(C)=O)c(=O)c2cc(N3CCCCC3)c(Cl)cc21.
What is the InChIKey of 3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one?
The InChIKey is RFNDZMGJIMJOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-20-11-14(12(2)22)18(23)13-9-17(15(19)10-16(13)20)21-7-5-4-6-8-21/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one?
3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one has a molecular weight of 332.83 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one is sourced from PubChem (CID 127052342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).