2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine

C17H24ClN3 — CID 116783677

IUPAC2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine
SMILESCCCCCCC(CN)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H24ClN3/c1-2-3-4-5-7-13(12-19)21-16-10-9-15(18)14-8-6-11-20-17(14)16/h6,8-11,13,21H,2-5,7,12,19H2,1H3
InChIKeyOBHOLZKEPHCDFH-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.60
Rot. Bonds8

About 2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine

2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine (PubChem CID 116783677) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine
PubChem CID116783677
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine
SMILESCCCCCCC(CN)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H24ClN3/c1-2-3-4-5-7-13(12-19)21-16-10-9-15(18)14-8-6-11-20-17(14)16/h6,8-11,13,21H,2-5,7,12,19H2,1H3
InChIKeyOBHOLZKEPHCDFH-UHFFFAOYSA-N
XLogP4.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.60
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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Related Compounds

8-chloro-N-heptylquinolin-5-amine
CID 43731731
butyl 2-[(5-chloroquinolin-8-yl)amino]acetate
CID 116783881
5-N-octan-4-ylquinoline-5,8-diamine
CID 106022461
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
2-N-(2-fluorophenyl)nonane-1,2-diamine
CID 65377519
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
2-methyl-N-undecan-6-ylpyridin-3-amine
CID 79042417
1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine
CID 112617871
5-chloro-N-(1-pyridin-3-ylethyl)quinolin-8-amine
CID 60927982
5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 54862255
2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine
CID 116783607
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine?
The IUPAC name of 2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine (CID 116783677) is 2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine?
The canonical SMILES for 2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine is CCCCCCC(CN)Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine?
The InChIKey is OBHOLZKEPHCDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-2-3-4-5-7-13(12-19)21-16-10-9-15(18)14-8-6-11-20-17(14)16/h6,8-11,13,21H,2-5,7,12,19H2,1H3.
What are the key properties of 2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine?
2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine has a molecular weight of 305.85 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine is sourced from PubChem (CID 116783677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).