5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide

C23H23BrClN3O2 — CID 22641838

IUPAC5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)c1O
InChIInChI=1S/C23H23BrClN3O2/c1-13-10-14(24)11-19(22(13)29)23(30)28-17-5-3-16(4-6-17)27-20-8-9-26-21-12-15(25)2-7-18(20)21/h2,7-12,16-17,29H,3-6H2,1H3,(H,26,27)(H,28,30)
InChIKeyGIMHGKFAQDHMIG-UHFFFAOYSA-N
MW488.81 g/mol
LogP5.82
Rot. Bonds4

About 5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide

5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide (PubChem CID 22641838) has the molecular formula C23H23BrClN3O2 and a molecular weight of 488.81 g/mol. Its IUPAC name is 5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide
PubChem CID22641838
Molecular FormulaC23H23BrClN3O2
Molecular Weight488.81 g/mol
Exact Mass487.07
IUPAC Name5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)c1O
InChIInChI=1S/C23H23BrClN3O2/c1-13-10-14(24)11-19(22(13)29)23(30)28-17-5-3-16(4-6-17)27-20-8-9-26-21-12-15(25)2-7-18(20)21/h2,7-12,16-17,29H,3-6H2,1H3,(H,26,27)(H,28,30)
InChIKeyGIMHGKFAQDHMIG-UHFFFAOYSA-N
XLogP5.82
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.81
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
CID 10237562
3-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-fluorobenzamide
CID 10050692
2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide
CID 22641648
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-thiazole-2-carboxamide
CID 10045727
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide
CID 22641879
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]cyclopentanecarboxamide
CID 22641578
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 10238056
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide
CID 22641524
4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 69198675

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of 5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide (CID 22641838) is 5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for 5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide is Cc1cc(Br)cc(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)c1O.
What is the InChIKey of 5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is GIMHGKFAQDHMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrClN3O2/c1-13-10-14(24)11-19(22(13)29)23(30)28-17-5-3-16(4-6-17)27-20-8-9-26-21-12-15(25)2-7-18(20)21/h2,7-12,16-17,29H,3-6H2,1H3,(H,26,27)(H,28,30).
What are the key properties of 5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide?
5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 488.81 g/mol, XLogP of 5.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 22641838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).