4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide

C23H24FN3O — CID 66816015

IUPAC4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide
SMILESO=C(Nc1ccc2cc(F)ccc2n1)c1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C23H24FN3O/c24-19-9-12-21-18(14-19)8-13-22(26-21)27-23(28)17-6-10-20(11-7-17)25-15-16-4-2-1-3-5-16/h6-14,16,25H,1-5,15H2,(H,26,27,28)
InChIKeySMYZAOZOXBHSRD-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.62
Rot. Bonds5

About 4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide

4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide (PubChem CID 66816015) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide.

Molecular Properties

Compound Name4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide
PubChem CID66816015
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide
SMILESO=C(Nc1ccc2cc(F)ccc2n1)c1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C23H24FN3O/c24-19-9-12-21-18(14-19)8-13-22(26-21)27-23(28)17-6-10-20(11-7-17)25-15-16-4-2-1-3-5-16/h6-14,16,25H,1-5,15H2,(H,26,27,28)
InChIKeySMYZAOZOXBHSRD-UHFFFAOYSA-N
XLogP5.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide?
The IUPAC name of 4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide (CID 66816015) is 4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide.
What is the SMILES notation for 4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide?
The canonical SMILES for 4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide is O=C(Nc1ccc2cc(F)ccc2n1)c1ccc(NCC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide?
The InChIKey is SMYZAOZOXBHSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c24-19-9-12-21-18(14-19)8-13-22(26-21)27-23(28)17-6-10-20(11-7-17)25-15-16-4-2-1-3-5-16/h6-14,16,25H,1-5,15H2,(H,26,27,28).
What are the key properties of 4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide?
4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide has a molecular weight of 377.46 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide is sourced from PubChem (CID 66816015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).