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

C23H24ClN3O2 — CID 22641827

IUPACN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)c1
InChIInChI=1S/C23H24ClN3O2/c1-14-2-9-22(28)19(12-14)23(29)27-17-6-4-16(5-7-17)26-20-10-11-25-21-13-15(24)3-8-18(20)21/h2-3,8-13,16-17,28H,4-7H2,1H3,(H,25,26)(H,27,29)
InChIKeyRARHBFRZHJGMGM-UHFFFAOYSA-N
MW409.92 g/mol
LogP5.06
Rot. Bonds4

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

N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide (PubChem CID 22641827) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide
PubChem CID22641827
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)c1
InChIInChI=1S/C23H24ClN3O2/c1-14-2-9-22(28)19(12-14)23(29)27-17-6-4-16(5-7-17)26-20-10-11-25-21-13-15(24)3-8-18(20)21/h2-3,8-13,16-17,28H,4-7H2,1H3,(H,25,26)(H,27,29)
InChIKeyRARHBFRZHJGMGM-UHFFFAOYSA-N
XLogP5.06
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.92
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
CID 10237562
5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 22641838
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-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide
CID 22641648
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
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 10238056
3-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-fluorobenzamide
CID 10050692
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide
CID 22641524
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-[(E)-2-phenylethenyl]benzamide
CID 22641736

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide (CID 22641827) is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)c1.
What is the InChIKey of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide?
The InChIKey is RARHBFRZHJGMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-14-2-9-22(28)19(12-14)23(29)27-17-6-4-16(5-7-17)26-20-10-11-25-21-13-15(24)3-8-18(20)21/h2-3,8-13,16-17,28H,4-7H2,1H3,(H,25,26)(H,27,29).
What are the key properties of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide?
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide has a molecular weight of 409.92 g/mol, XLogP of 5.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 22641827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).