2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine

C17H13Cl2N3O2 — CID 150191155

IUPAC2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine
SMILESO=[N+]([O-])c1ccc(CCNc2cc(Cl)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C17H13Cl2N3O2/c18-12-3-6-15-14(9-12)16(10-17(19)21-15)20-8-7-11-1-4-13(5-2-11)22(23)24/h1-6,9-10H,7-8H2,(H,20,21)
InChIKeyFNLUHWMIUXEZCP-UHFFFAOYSA-N
MW362.22 g/mol
LogP5.10
Rot. Bonds5

About 2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine

2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine (PubChem CID 150191155) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine
PubChem CID150191155
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine
SMILESO=[N+]([O-])c1ccc(CCNc2cc(Cl)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C17H13Cl2N3O2/c18-12-3-6-15-14(9-12)16(10-17(19)21-15)20-8-7-11-1-4-13(5-2-11)22(23)24/h1-6,9-10H,7-8H2,(H,20,21)
InChIKeyFNLUHWMIUXEZCP-UHFFFAOYSA-N
XLogP5.10
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.22
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 162656938
6-chloro-N-[2-(4-nitrophenyl)ethyl]pyridin-2-amine
CID 106194233
6-chloro-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
CID 114156623
N-[4-[2-[[6-(methanesulfonamido)-4-[2-(4-nitrophenyl)ethylamino]quinolin-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 139719816
5-chloro-2-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 115469594
[4-[2-(2-chloro-4-nitroanilino)ethyl]phenyl]methanol
CID 133455289
5-chloro-N-[2-(4-methoxyphenyl)ethyl]-2-nitroaniline
CID 115469569
2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
CID 17208597
2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 150535612
2-bromo-N-[2-(4-nitrophenyl)ethyl]aniline
CID 43519934
N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methylquinolin-4-amine
CID 110432981
N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
CID 47350744

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine?
The IUPAC name of 2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine (CID 150191155) is 2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine.
What is the SMILES notation for 2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine?
The canonical SMILES for 2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine is O=[N+]([O-])c1ccc(CCNc2cc(Cl)nc3ccc(Cl)cc23)cc1.
What is the InChIKey of 2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine?
The InChIKey is FNLUHWMIUXEZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-12-3-6-15-14(9-12)16(10-17(19)21-15)20-8-7-11-1-4-13(5-2-11)22(23)24/h1-6,9-10H,7-8H2,(H,20,21).
What are the key properties of 2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine?
2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine has a molecular weight of 362.22 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine is sourced from PubChem (CID 150191155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).