N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide

C28H25ClFN3O2 — CID 22641524

IUPACN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide
SMILESO=C(NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1)c1cc(F)cc(-c2ccccc2O)c1
InChIInChI=1S/C28H25ClFN3O2/c29-19-5-10-24-25(11-12-31-26(24)16-19)32-21-6-8-22(9-7-21)33-28(35)18-13-17(14-20(30)15-18)23-3-1-2-4-27(23)34/h1-5,10-16,21-22,34H,6-9H2,(H,31,32)(H,33,35)
InChIKeyOMTVVLBPLRGWCP-UHFFFAOYSA-N
MW489.98 g/mol
LogP6.55
Rot. Bonds5

About N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide

N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide (PubChem CID 22641524) has the molecular formula C28H25ClFN3O2 and a molecular weight of 489.98 g/mol. Its IUPAC name is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide
PubChem CID22641524
Molecular FormulaC28H25ClFN3O2
Molecular Weight489.98 g/mol
Exact Mass489.16
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide
SMILESO=C(NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1)c1cc(F)cc(-c2ccccc2O)c1
InChIInChI=1S/C28H25ClFN3O2/c29-19-5-10-24-25(11-12-31-26(24)16-19)32-21-6-8-22(9-7-21)33-28(35)18-13-17(14-20(30)15-18)23-3-1-2-4-27(23)34/h1-5,10-16,21-22,34H,6-9H2,(H,31,32)(H,33,35)
InChIKeyOMTVVLBPLRGWCP-UHFFFAOYSA-N
XLogP6.55
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.98
LogP ≤ 56.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(E)-2-phenylethenyl]benzamide
CID 22641736
2-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]pyridine-4-carboxamide
CID 22641834
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
CID 10237562
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide
CID 10287647
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide
CID 22641879
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-5-methylbenzamide
CID 22641827
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 10238056
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
5-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 22641838
2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide
CID 22641648

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide?
The IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide (CID 22641524) is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide.
What is the SMILES notation for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide?
The canonical SMILES for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide is O=C(NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1)c1cc(F)cc(-c2ccccc2O)c1.
What is the InChIKey of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide?
The InChIKey is OMTVVLBPLRGWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClFN3O2/c29-19-5-10-24-25(11-12-31-26(24)16-19)32-21-6-8-22(9-7-21)33-28(35)18-13-17(14-20(30)15-18)23-3-1-2-4-27(23)34/h1-5,10-16,21-22,34H,6-9H2,(H,31,32)(H,33,35).
What are the key properties of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide?
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide has a molecular weight of 489.98 g/mol, XLogP of 6.55, 5 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]-3-fluoro-5-(2-hydroxyphenyl)benzamide is sourced from PubChem (CID 22641524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).