N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide

C24H22ClN5O — CID 22641879

IUPACN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide
SMILESO=C(NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1)c1cnc2ccccc2n1
InChIInChI=1S/C24H22ClN5O/c25-15-5-10-18-19(11-12-26-22(18)13-15)28-16-6-8-17(9-7-16)29-24(31)23-14-27-20-3-1-2-4-21(20)30-23/h1-5,10-14,16-17H,6-9H2,(H,26,28)(H,29,31)
InChIKeyAKTKXTDYVCOLAH-UHFFFAOYSA-N
MW431.93 g/mol
LogP4.98
Rot. Bonds4

About N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide

N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide (PubChem CID 22641879) has the molecular formula C24H22ClN5O and a molecular weight of 431.93 g/mol. Its IUPAC name is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide
PubChem CID22641879
Molecular FormulaC24H22ClN5O
Molecular Weight431.93 g/mol
Exact Mass431.15
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide
SMILESO=C(NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1)c1cnc2ccccc2n1
InChIInChI=1S/C24H22ClN5O/c25-15-5-10-18-19(11-12-26-22(18)13-15)28-16-6-8-17(9-7-16)29-24(31)23-14-27-20-3-1-2-4-21(20)30-23/h1-5,10-14,16-17H,6-9H2,(H,26,28)(H,29,31)
InChIKeyAKTKXTDYVCOLAH-UHFFFAOYSA-N
XLogP4.98
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]-1,3-thiazole-2-carboxamide
CID 10045727
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]cyclopentanecarboxamide
CID 22641578
N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-2-carboxamide
CID 90633350
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
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]-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]quinoxaline-2-carboxamide?
The IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide (CID 22641879) is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide is O=C(NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1)c1cnc2ccccc2n1.
What is the InChIKey of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide?
The InChIKey is AKTKXTDYVCOLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O/c25-15-5-10-18-19(11-12-26-22(18)13-15)28-16-6-8-17(9-7-16)29-24(31)23-14-27-20-3-1-2-4-21(20)30-23/h1-5,10-14,16-17H,6-9H2,(H,26,28)(H,29,31).
What are the key properties of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide?
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide has a molecular weight of 431.93 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 22641879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).