N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide

C17H19FN2O — CID 142279689

IUPACN-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
SMILESO=CNCC1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C17H19FN2O/c18-14-5-6-17-16(9-14)15(7-8-20-17)13-3-1-12(2-4-13)10-19-11-21/h5-9,11-13H,1-4,10H2,(H,19,21)
InChIKeyJAAMJMZTVYXBAA-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.39
Rot. Bonds4

About N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide

N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide (PubChem CID 142279689) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
PubChem CID142279689
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
SMILESO=CNCC1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C17H19FN2O/c18-14-5-6-17-16(9-14)15(7-8-20-17)13-3-1-12(2-4-13)10-19-11-21/h5-9,11-13H,1-4,10H2,(H,19,21)
InChIKeyJAAMJMZTVYXBAA-UHFFFAOYSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide 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

ethane;N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide;3-methyl-4-phenyl-1H-pyrrole
CID 142279688
1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine
CID 175080471
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
6-fluoro-4-[4-(2-isocyanatoethyl)cyclohexyl]quinoline
CID 134284395
N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine
CID 121318760
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole
CID 134305867
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole
CID 138664532
6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine
CID 168891031
4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
CID 154646245

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide?
The IUPAC name of N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide (CID 142279689) is N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide.
What is the SMILES notation for N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide?
The canonical SMILES for N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide is O=CNCC1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide?
The InChIKey is JAAMJMZTVYXBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-14-5-6-17-16(9-14)15(7-8-20-17)13-3-1-12(2-4-13)10-19-11-21/h5-9,11-13H,1-4,10H2,(H,19,21).
What are the key properties of N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide?
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide has a molecular weight of 286.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide is sourced from PubChem (CID 142279689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).