4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide

C21H30ClN3O — CID 144970640

IUPAC4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)C.Clc1cc(NC2CCCCC2)nc2ccccc12
InChIInChI=1S/C15H17ClN2.C6H13NO/c16-13-10-15(17-11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14;1-6(2,3)5(8)7-4/h4-5,8-11H,1-3,6-7H2,(H,17,18);1-4H3,(H,7,8)
InChIKeyPSVMXEZSZDZZMQ-UHFFFAOYSA-N
MW375.94 g/mol
LogP5.41
Rot. Bonds2

About 4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide

4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide (PubChem CID 144970640) has the molecular formula C21H30ClN3O and a molecular weight of 375.94 g/mol. Its IUPAC name is 4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide
PubChem CID144970640
Molecular FormulaC21H30ClN3O
Molecular Weight375.94 g/mol
Exact Mass375.21
IUPAC Name4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)C.Clc1cc(NC2CCCCC2)nc2ccccc12
InChIInChI=1S/C15H17ClN2.C6H13NO/c16-13-10-15(17-11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14;1-6(2,3)5(8)7-4/h4-5,8-11H,1-3,6-7H2,(H,17,18);1-4H3,(H,7,8)
InChIKeyPSVMXEZSZDZZMQ-UHFFFAOYSA-N
XLogP5.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.94
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide?
The IUPAC name of 4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide (CID 144970640) is 4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide.
What is the SMILES notation for 4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide?
The canonical SMILES for 4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)C.Clc1cc(NC2CCCCC2)nc2ccccc12.
What is the InChIKey of 4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide?
The InChIKey is PSVMXEZSZDZZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2.C6H13NO/c16-13-10-15(17-11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14;1-6(2,3)5(8)7-4/h4-5,8-11H,1-3,6-7H2,(H,17,18);1-4H3,(H,7,8).
What are the key properties of 4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide?
4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide has a molecular weight of 375.94 g/mol, XLogP of 5.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide is sourced from PubChem (CID 144970640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).