4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide

C17H19FN2O2 — CID 139018600

IUPAC4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2ncccc2c1NC(=O)C1CCC(F)CC1
InChIInChI=1S/C17H19FN2O2/c1-22-15-9-8-14-13(3-2-10-19-14)16(15)20-17(21)11-4-6-12(18)7-5-11/h2-3,8-12H,4-7H2,1H3,(H,20,21)
InChIKeyCXIPQLWMXCEEHK-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.71
Rot. Bonds3

About 4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide

4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide (PubChem CID 139018600) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide
PubChem CID139018600
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2ncccc2c1NC(=O)C1CCC(F)CC1
InChIInChI=1S/C17H19FN2O2/c1-22-15-9-8-14-13(3-2-10-19-14)16(15)20-17(21)11-4-6-12(18)7-5-11/h2-3,8-12H,4-7H2,1H3,(H,20,21)
InChIKeyCXIPQLWMXCEEHK-UHFFFAOYSA-N
XLogP3.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223156
2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide
CID 19027890
N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide
CID 142435308
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
(3R)-N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452473
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 141414883
N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738
[8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate
CID 132937573
1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 155546978
4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310046
methyl 5-fluoroquinoline-6-carboxylate
CID 118665149

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide (CID 139018600) is 4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide is COc1ccc2ncccc2c1NC(=O)C1CCC(F)CC1.
What is the InChIKey of 4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide?
The InChIKey is CXIPQLWMXCEEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-22-15-9-8-14-13(3-2-10-19-14)16(15)20-17(21)11-4-6-12(18)7-5-11/h2-3,8-12H,4-7H2,1H3,(H,20,21).
What are the key properties of 4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide?
4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 139018600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).