N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide

C23H24ClN3O — CID 10237562

IUPACN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C23H24ClN3O/c1-15-2-4-16(5-3-15)23(28)27-19-9-7-18(8-10-19)26-21-12-13-25-22-14-17(24)6-11-20(21)22/h2-6,11-14,18-19H,7-10H2,1H3,(H,25,26)(H,27,28)
InChIKeyYJRYLUWNYHPQOV-UHFFFAOYSA-N
MW393.92 g/mol
LogP5.35
Rot. Bonds4

About N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide

N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide (PubChem CID 10237562) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
PubChem CID10237562
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C23H24ClN3O/c1-15-2-4-16(5-3-15)23(28)27-19-9-7-18(8-10-19)26-21-12-13-25-22-14-17(24)6-11-20(21)22/h2-6,11-14,18-19H,7-10H2,1H3,(H,25,26)(H,27,28)
InChIKeyYJRYLUWNYHPQOV-UHFFFAOYSA-N
XLogP5.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide?
The IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide (CID 10237562) is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc1.
What is the InChIKey of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide?
The InChIKey is YJRYLUWNYHPQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-15-2-4-16(5-3-15)23(28)27-19-9-7-18(8-10-19)26-21-12-13-25-22-14-17(24)6-11-20(21)22/h2-6,11-14,18-19H,7-10H2,1H3,(H,25,26)(H,27,28).
What are the key properties of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide?
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide has a molecular weight of 393.92 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide is sourced from PubChem (CID 10237562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).