2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide

C23H23BrClN3O2 — CID 22641648

IUPAC2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)c1
InChIInChI=1S/C23H23BrClN3O2/c1-30-17-7-9-20(24)19(13-17)23(29)28-16-5-3-15(4-6-16)27-21-10-11-26-22-12-14(25)2-8-18(21)22/h2,7-13,15-16H,3-6H2,1H3,(H,26,27)(H,28,29)
InChIKeyGFIXHYXQSWQLAI-UHFFFAOYSA-N
MW488.81 g/mol
LogP5.81
Rot. Bonds5

About 2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide

2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide (PubChem CID 22641648) has the molecular formula C23H23BrClN3O2 and a molecular weight of 488.81 g/mol. Its IUPAC name is 2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide
PubChem CID22641648
Molecular FormulaC23H23BrClN3O2
Molecular Weight488.81 g/mol
Exact Mass487.07
IUPAC Name2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)c1
InChIInChI=1S/C23H23BrClN3O2/c1-30-17-7-9-20(24)19(13-17)23(29)28-16-5-3-15(4-6-16)27-21-10-11-26-22-12-14(25)2-8-18(21)22/h2,7-13,15-16H,3-6H2,1H3,(H,26,27)(H,28,29)
InChIKeyGFIXHYXQSWQLAI-UHFFFAOYSA-N
XLogP5.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.81
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 22641838
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
CID 10237562
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide
CID 22641827
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide
CID 10287647
2-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]pyridine-4-carboxamide
CID 22641834
2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide
CID 114296895
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
2-bromo-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-5-methoxybenzamide
CID 23027493
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide
CID 22641879
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 10238056

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide (CID 22641648) is 2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)c1.
What is the InChIKey of 2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide?
The InChIKey is GFIXHYXQSWQLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrClN3O2/c1-30-17-7-9-20(24)19(13-17)23(29)28-16-5-3-15(4-6-16)27-21-10-11-26-22-12-14(25)2-8-18(21)22/h2,7-13,15-16H,3-6H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide?
2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide has a molecular weight of 488.81 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide is sourced from PubChem (CID 22641648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).