6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one

C22H33FN2O — CID 174480314

IUPAC6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one
SMILESCc1cc2c(cc1F)CCC(=O)N2CCCCCCCN1CCCCC1
InChIInChI=1S/C22H33FN2O/c1-18-16-21-19(17-20(18)23)10-11-22(26)25(21)15-9-4-2-3-6-12-24-13-7-5-8-14-24/h16-17H,2-15H2,1H3
InChIKeyAECXFAWGSZAYJJ-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.85
Rot. Bonds8

About 6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one

6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one (PubChem CID 174480314) has the molecular formula C22H33FN2O and a molecular weight of 360.52 g/mol. Its IUPAC name is 6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one
PubChem CID174480314
Molecular FormulaC22H33FN2O
Molecular Weight360.52 g/mol
Exact Mass360.26
IUPAC Name6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one
SMILESCc1cc2c(cc1F)CCC(=O)N2CCCCCCCN1CCCCC1
InChIInChI=1S/C22H33FN2O/c1-18-16-21-19(17-20(18)23)10-11-22(26)25(21)15-9-4-2-3-6-12-24-13-7-5-8-14-24/h16-17H,2-15H2,1H3
InChIKeyAECXFAWGSZAYJJ-UHFFFAOYSA-N
XLogP4.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-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

1-(4-piperidin-1-ylbutyl)-3,4-dihydro-1-benzazepine-2,5-dione
CID 68585872
6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one
CID 159127321
7-methoxy-1-(2-piperidin-1-ylethyl)-3,4-dihydroquinolin-2-one
CID 141163160
2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 102711309
2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 100978088
1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
CID 141389881
11-(5-pyrrolidin-1-ylpentyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 10131774
1-hexyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711273
4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43243930
1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one
CID 90654937
5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione
CID 80747330
7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one
CID 68605458

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one (CID 174480314) is 6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one is Cc1cc2c(cc1F)CCC(=O)N2CCCCCCCN1CCCCC1.
What is the InChIKey of 6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one?
The InChIKey is AECXFAWGSZAYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN2O/c1-18-16-21-19(17-20(18)23)10-11-22(26)25(21)15-9-4-2-3-6-12-24-13-7-5-8-14-24/h16-17H,2-15H2,1H3.
What are the key properties of 6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one?
6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one has a molecular weight of 360.52 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methyl-1-(7-piperidin-1-ylheptyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 174480314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).