6,7-dichloro-N-cyclopentylquinolin-4-amine

C14H14Cl2N2 — CID 123131770

IUPAC6,7-dichloro-N-cyclopentylquinolin-4-amine
SMILESClc1cc2nccc(NC3CCCC3)c2cc1Cl
InChIInChI=1S/C14H14Cl2N2/c15-11-7-10-13(18-9-3-1-2-4-9)5-6-17-14(10)8-12(11)16/h5-9H,1-4H2,(H,17,18)
InChIKeyCMPRHICRGYUFAI-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.90
Rot. Bonds2

About 6,7-dichloro-N-cyclopentylquinolin-4-amine

6,7-dichloro-N-cyclopentylquinolin-4-amine (PubChem CID 123131770) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 6,7-dichloro-N-cyclopentylquinolin-4-amine.

Molecular Properties

Compound Name6,7-dichloro-N-cyclopentylquinolin-4-amine
PubChem CID123131770
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name6,7-dichloro-N-cyclopentylquinolin-4-amine
SMILESClc1cc2nccc(NC3CCCC3)c2cc1Cl
InChIInChI=1S/C14H14Cl2N2/c15-11-7-10-13(18-9-3-1-2-4-9)5-6-17-14(10)8-12(11)16/h5-9H,1-4H2,(H,17,18)
InChIKeyCMPRHICRGYUFAI-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chloroquine
CID 2719
(+-)-Desethylhydroxychloroquine
CID 71826
4,7-Dichloroquinoline
CID 6866
(+-)-Desethylchloroquine
CID 95478
(+-)-Chloroquine diphosphate
CID 83818
6-Chloroquinoline
CID 69163
4-Amino-7-chloroquinoline
CID 94711
Bisdesethylchloroquine
CID 122672
Chloroquine Sulfate
CID 91441
Sontoquine
CID 66553
Ro 41-3118
CID 408190
7-Chloro-4-(1-pyrrolidinyl)quinoline
CID 962627

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-cyclopentylquinolin-4-amine?
The IUPAC name of 6,7-dichloro-N-cyclopentylquinolin-4-amine (CID 123131770) is 6,7-dichloro-N-cyclopentylquinolin-4-amine.
What is the SMILES notation for 6,7-dichloro-N-cyclopentylquinolin-4-amine?
The canonical SMILES for 6,7-dichloro-N-cyclopentylquinolin-4-amine is Clc1cc2nccc(NC3CCCC3)c2cc1Cl.
What is the InChIKey of 6,7-dichloro-N-cyclopentylquinolin-4-amine?
The InChIKey is CMPRHICRGYUFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c15-11-7-10-13(18-9-3-1-2-4-9)5-6-17-14(10)8-12(11)16/h5-9H,1-4H2,(H,17,18).
What are the key properties of 6,7-dichloro-N-cyclopentylquinolin-4-amine?
6,7-dichloro-N-cyclopentylquinolin-4-amine has a molecular weight of 281.19 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-cyclopentylquinolin-4-amine is sourced from PubChem (CID 123131770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).