N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide

C24H26ClN3O — CID 10287647

IUPACN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc1C
InChIInChI=1S/C24H26ClN3O/c1-15-3-4-17(13-16(15)2)24(29)28-20-8-6-19(7-9-20)27-22-11-12-26-23-14-18(25)5-10-21(22)23/h3-5,10-14,19-20H,6-9H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyGFKDJPLXTXDPQN-UHFFFAOYSA-N
MW407.95 g/mol
LogP5.66
Rot. Bonds4

About N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide

N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide (PubChem CID 10287647) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide
PubChem CID10287647
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc1C
InChIInChI=1S/C24H26ClN3O/c1-15-3-4-17(13-16(15)2)24(29)28-20-8-6-19(7-9-20)27-22-11-12-26-23-14-18(25)5-10-21(22)23/h3-5,10-14,19-20H,6-9H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyGFKDJPLXTXDPQN-UHFFFAOYSA-N
XLogP5.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.95
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
CID 10237562
2-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]pyridine-4-carboxamide
CID 22641834
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 10238056
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide
CID 22641827
5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 22641838
3-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-fluorobenzamide
CID 10050692
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1,3-thiazole-2-carboxamide
CID 10045727
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]cyclopentanecarboxamide
CID 22641578
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide
CID 22641879
2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide
CID 22641648
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-[(E)-2-phenylethenyl]benzamide
CID 22641736
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide
CID 22641524

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide (CID 10287647) is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc1C.
What is the InChIKey of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide?
The InChIKey is GFKDJPLXTXDPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-15-3-4-17(13-16(15)2)24(29)28-20-8-6-19(7-9-20)27-22-11-12-26-23-14-18(25)5-10-21(22)23/h3-5,10-14,19-20H,6-9H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide?
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide has a molecular weight of 407.95 g/mol, XLogP of 5.66, 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]-3,4-dimethylbenzamide is sourced from PubChem (CID 10287647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).