N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide

C22H30ClN3O — CID 22641699

IUPACN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide
SMILESCCCCCCC(=O)NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C22H30ClN3O/c1-2-3-4-5-6-22(27)26-18-10-8-17(9-11-18)25-20-13-14-24-21-15-16(23)7-12-19(20)21/h7,12-15,17-18H,2-6,8-11H2,1H3,(H,24,25)(H,26,27)
InChIKeyTUWCUWKHXWRXEE-UHFFFAOYSA-N
MW387.96 g/mol
LogP5.70
Rot. Bonds8

About N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide

N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide (PubChem CID 22641699) has the molecular formula C22H30ClN3O and a molecular weight of 387.96 g/mol. Its IUPAC name is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide.

Molecular Properties

Compound NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide
PubChem CID22641699
Molecular FormulaC22H30ClN3O
Molecular Weight387.96 g/mol
Exact Mass387.21
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide
SMILESCCCCCCC(=O)NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C22H30ClN3O/c1-2-3-4-5-6-22(27)26-18-10-8-17(9-11-18)25-20-13-14-24-21-15-16(23)7-12-19(20)21/h7,12-15,17-18H,2-6,8-11H2,1H3,(H,24,25)(H,26,27)
InChIKeyTUWCUWKHXWRXEE-UHFFFAOYSA-N
XLogP5.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.96
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide?
The IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide (CID 22641699) is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide.
What is the SMILES notation for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide?
The canonical SMILES for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide is CCCCCCC(=O)NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide?
The InChIKey is TUWCUWKHXWRXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O/c1-2-3-4-5-6-22(27)26-18-10-8-17(9-11-18)25-20-13-14-24-21-15-16(23)7-12-19(20)21/h7,12-15,17-18H,2-6,8-11H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide?
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide has a molecular weight of 387.96 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide is sourced from PubChem (CID 22641699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).