N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide

C23H24ClN3O — CID 66815550

IUPACN-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide
SMILESO=C(Nc1cnc2ccccc2c1Cl)c1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C23H24ClN3O/c24-22-19-8-4-5-9-20(19)26-15-21(22)27-23(28)17-10-12-18(13-11-17)25-14-16-6-2-1-3-7-16/h4-5,8-13,15-16,25H,1-3,6-7,14H2,(H,27,28)
InChIKeyDQULNFWIZOTDCY-UHFFFAOYSA-N
MW393.92 g/mol
LogP6.13
Rot. Bonds5

About N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide

N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide (PubChem CID 66815550) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide.

Molecular Properties

Compound NameN-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide
PubChem CID66815550
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC NameN-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide
SMILESO=C(Nc1cnc2ccccc2c1Cl)c1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C23H24ClN3O/c24-22-19-8-4-5-9-20(19)26-15-21(22)27-23(28)17-10-12-18(13-11-17)25-14-16-6-2-1-3-7-16/h4-5,8-13,15-16,25H,1-3,6-7,14H2,(H,27,28)
InChIKeyDQULNFWIZOTDCY-UHFFFAOYSA-N
XLogP6.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide?
The IUPAC name of N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide (CID 66815550) is N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide.
What is the SMILES notation for N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide?
The canonical SMILES for N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide is O=C(Nc1cnc2ccccc2c1Cl)c1ccc(NCC2CCCCC2)cc1.
What is the InChIKey of N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide?
The InChIKey is DQULNFWIZOTDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c24-22-19-8-4-5-9-20(19)26-15-21(22)27-23(28)17-10-12-18(13-11-17)25-14-16-6-2-1-3-7-16/h4-5,8-13,15-16,25H,1-3,6-7,14H2,(H,27,28).
What are the key properties of N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide?
N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide has a molecular weight of 393.92 g/mol, XLogP of 6.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide is sourced from PubChem (CID 66815550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).