4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide

C26H26F2N2O — CID 154646245

IUPAC4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
SMILESO=C(NC1(CC2CCC(c3ccnc4ccc(F)cc34)CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H26F2N2O/c27-20-7-5-19(6-8-20)25(31)30-26(12-13-26)16-17-1-3-18(4-2-17)22-11-14-29-24-10-9-21(28)15-23(22)24/h5-11,14-15,17-18H,1-4,12-13,16H2,(H,30,31)
InChIKeyXEGOSTWTUOHNRP-UHFFFAOYSA-N
MW420.50 g/mol
LogP6.14
Rot. Bonds5

About 4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide

4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide (PubChem CID 154646245) has the molecular formula C26H26F2N2O and a molecular weight of 420.50 g/mol. Its IUPAC name is 4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
PubChem CID154646245
Molecular FormulaC26H26F2N2O
Molecular Weight420.50 g/mol
Exact Mass420.20
IUPAC Name4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
SMILESO=C(NC1(CC2CCC(c3ccnc4ccc(F)cc34)CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H26F2N2O/c27-20-7-5-19(6-8-20)25(31)30-26(12-13-26)16-17-1-3-18(4-2-17)22-11-14-29-24-10-9-21(28)15-23(22)24/h5-11,14-15,17-18H,1-4,12-13,16H2,(H,30,31)
InChIKeyXEGOSTWTUOHNRP-UHFFFAOYSA-N
XLogP6.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.50
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide with MolForge

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Related Compounds

4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
CID 154646247
4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
CID 162465060
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide
CID 155683150
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide
CID 155683140
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]pyridine-4-carboxamide
CID 146470800
N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
CID 121329944
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide (CID 154646245) is 4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide is O=C(NC1(CC2CCC(c3ccnc4ccc(F)cc34)CC2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide?
The InChIKey is XEGOSTWTUOHNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O/c27-20-7-5-19(6-8-20)25(31)30-26(12-13-26)16-17-1-3-18(4-2-17)22-11-14-29-24-10-9-21(28)15-23(22)24/h5-11,14-15,17-18H,1-4,12-13,16H2,(H,30,31).
What are the key properties of 4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide?
4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide has a molecular weight of 420.50 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide is sourced from PubChem (CID 154646245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).