N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine

C17H16ClN3 — CID 65378756

IUPACN-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine
SMILESNCC(Nc1ccccc1Cl)c1cccc2cccnc12
InChIInChI=1S/C17H16ClN3/c18-14-8-1-2-9-15(14)21-16(11-19)13-7-3-5-12-6-4-10-20-17(12)13/h1-10,16,21H,11,19H2
InChIKeyMIZOBRQQBAQIAT-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.00
Rot. Bonds4

About N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine

N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine (PubChem CID 65378756) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine
PubChem CID65378756
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC NameN-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine
SMILESNCC(Nc1ccccc1Cl)c1cccc2cccnc12
InChIInChI=1S/C17H16ClN3/c18-14-8-1-2-9-15(14)21-16(11-19)13-7-3-5-12-6-4-10-20-17(12)13/h1-10,16,21H,11,19H2
InChIKeyMIZOBRQQBAQIAT-UHFFFAOYSA-N
XLogP4.00
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65384916
N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65376884
5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol
CID 107316843
N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131040
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine
CID 114616018
1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 114843280
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 65383000
1-(2,3-dichlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65378776
N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
CID 82133167

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine?
The IUPAC name of N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine (CID 65378756) is N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine?
The canonical SMILES for N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine is NCC(Nc1ccccc1Cl)c1cccc2cccnc12.
What is the InChIKey of N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine?
The InChIKey is MIZOBRQQBAQIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-14-8-1-2-9-15(14)21-16(11-19)13-7-3-5-12-6-4-10-20-17(12)13/h1-10,16,21H,11,19H2.
What are the key properties of N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine?
N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine has a molecular weight of 297.79 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine is sourced from PubChem (CID 65378756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).