8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine

C18H23ClN2 — CID 107628758

IUPAC8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C2CCCC2)nc2c(Cl)ccc(C)c12
InChIInChI=1S/C18H23ClN2/c1-3-10-20-16-11-15(13-6-4-5-7-13)21-18-14(19)9-8-12(2)17(16)18/h8-9,11,13H,3-7,10H2,1-2H3,(H,20,21)
InChIKeyPYUSNQXSTCQUSS-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.68
Rot. Bonds4

About 8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine

8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine (PubChem CID 107628758) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine
PubChem CID107628758
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C2CCCC2)nc2c(Cl)ccc(C)c12
InChIInChI=1S/C18H23ClN2/c1-3-10-20-16-11-15(13-6-4-5-7-13)21-18-14(19)9-8-12(2)17(16)18/h8-9,11,13H,3-7,10H2,1-2H3,(H,20,21)
InChIKeyPYUSNQXSTCQUSS-UHFFFAOYSA-N
XLogP5.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-cyclopropyl-8-fluoro-N-propylquinolin-4-amine
CID 63480363
(5-chloro-2-cyclopentyl-8-methylquinolin-4-yl)hydrazine
CID 113390603
7-bromo-2-cyclopentyl-8-methyl-N-propylquinolin-4-amine
CID 107628646
2-cyclopropyl-8-methyl-N-propylquinolin-4-amine
CID 63358059
5,8-dichloro-2-ethyl-N-propylquinolin-4-amine
CID 63480385
2,5,8-trimethyl-N-propylquinolin-4-amine
CID 63480948
6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine
CID 107628798
2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine
CID 107628716
2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine
CID 114257965
6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine
CID 107616783
8-chloro-2,3,5-trimethyl-N-propylquinolin-4-amine
CID 107628672
4,5,8-trichloro-2-cyclopropylquinoline
CID 63408649

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine?
The IUPAC name of 8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine (CID 107628758) is 8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine is CCCNc1cc(C2CCCC2)nc2c(Cl)ccc(C)c12.
What is the InChIKey of 8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine?
The InChIKey is PYUSNQXSTCQUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-3-10-20-16-11-15(13-6-4-5-7-13)21-18-14(19)9-8-12(2)17(16)18/h8-9,11,13H,3-7,10H2,1-2H3,(H,20,21).
What are the key properties of 8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine?
8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine has a molecular weight of 302.85 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 107628758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).