7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C18H23FN2O3 — CID 110003451

IUPAC7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCN(CC1CCCCC1O)C(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C18H23FN2O3/c1-21(10-12-4-2-3-5-16(12)22)18(24)13-8-11-6-7-17(23)20-15(11)9-14(13)19/h8-9,12,16,22H,2-7,10H2,1H3,(H,20,23)
InChIKeyYDILCVQGGVPJOY-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.33
Rot. Bonds3

About 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 110003451) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID110003451
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCN(CC1CCCCC1O)C(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C18H23FN2O3/c1-21(10-12-4-2-3-5-16(12)22)18(24)13-8-11-6-7-17(23)20-15(11)9-14(13)19/h8-9,12,16,22H,2-7,10H2,1H3,(H,20,23)
InChIKeyYDILCVQGGVPJOY-UHFFFAOYSA-N
XLogP2.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid
CID 120524210
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid
CID 119358178
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500030
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298263
(3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid
CID 99718262
7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457544
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516375
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119347987
4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide
CID 110003945

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 110003451) is 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CN(CC1CCCCC1O)C(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is YDILCVQGGVPJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-21(10-12-4-2-3-5-16(12)22)18(24)13-8-11-6-7-17(23)20-15(11)9-14(13)19/h8-9,12,16,22H,2-7,10H2,1H3,(H,20,23).
What are the key properties of 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 334.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 110003451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).