N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide

C17H22FN3O2 — CID 99584722

IUPACN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide
SMILESO=C1CCc2cc(NC(=O)N3CCCCCCC3)c(F)cc2N1
InChIInChI=1S/C17H22FN3O2/c18-13-11-14-12(6-7-16(22)19-14)10-15(13)20-17(23)21-8-4-2-1-3-5-9-21/h10-11H,1-9H2,(H,19,22)(H,20,23)
InChIKeyVPBLRZBDZGHELG-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.51
Rot. Bonds1

About N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide

N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide (PubChem CID 99584722) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide.

Molecular Properties

Compound NameN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide
PubChem CID99584722
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC NameN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide
SMILESO=C1CCc2cc(NC(=O)N3CCCCCCC3)c(F)cc2N1
InChIInChI=1S/C17H22FN3O2/c18-13-11-14-12(6-7-16(22)19-14)10-15(13)20-17(23)21-8-4-2-1-3-5-9-21/h10-11H,1-9H2,(H,19,22)(H,20,23)
InChIKeyVPBLRZBDZGHELG-UHFFFAOYSA-N
XLogP3.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 167835032
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(2R)-1-piperidin-1-ylpropan-2-yl]urea
CID 99585473
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674429
1-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119293017
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide;hydrochloride
CID 119293005
N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide
CID 107610837
(3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid
CID 99718262
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 146090066
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 86802588
1-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119730215
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
CID 39283738

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide?
The IUPAC name of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide (CID 99584722) is N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide.
What is the SMILES notation for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide?
The canonical SMILES for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide is O=C1CCc2cc(NC(=O)N3CCCCCCC3)c(F)cc2N1.
What is the InChIKey of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide?
The InChIKey is VPBLRZBDZGHELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-13-11-14-12(6-7-16(22)19-14)10-15(13)20-17(23)21-8-4-2-1-3-5-9-21/h10-11H,1-9H2,(H,19,22)(H,20,23).
What are the key properties of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide?
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide is sourced from PubChem (CID 99584722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).