2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine

C15H11Cl2N3 — CID 43450981

IUPAC2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(Nc3cccc(Cl)c3Cl)ccc2c1
InChIInChI=1S/C15H11Cl2N3/c16-11-2-1-3-13(15(11)17)20-14-7-4-9-8-10(18)5-6-12(9)19-14/h1-8H,18H2,(H,19,20)
InChIKeyBXNSMNIUOAWLSK-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.87
Rot. Bonds2

About 2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine

2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine (PubChem CID 43450981) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine
PubChem CID43450981
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(Nc3cccc(Cl)c3Cl)ccc2c1
InChIInChI=1S/C15H11Cl2N3/c16-11-2-1-3-13(15(11)17)20-14-7-4-9-8-10(18)5-6-12(9)19-14/h1-8H,18H2,(H,19,20)
InChIKeyBXNSMNIUOAWLSK-UHFFFAOYSA-N
XLogP4.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine
CID 103477533
2-[(6-aminoquinolin-2-yl)amino]-6-fluorobenzonitrile
CID 43580481
6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one
CID 136808641
2-N-(3-fluorophenyl)quinoline-2,6-diamine
CID 43450955
2-N-(3-bromophenyl)quinoline-2,6-diamine
CID 43450961
4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
CID 4764118
4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine
CID 103000343
2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine
CID 43450982
4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine
CID 65337053
2-[(6-aminoquinolin-2-yl)amino]-5-fluorobenzonitrile
CID 82012937
4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine
CID 106750347
N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine
CID 115416269

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine (CID 43450981) is 2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine is Nc1ccc2nc(Nc3cccc(Cl)c3Cl)ccc2c1.
What is the InChIKey of 2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine?
The InChIKey is BXNSMNIUOAWLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-11-2-1-3-13(15(11)17)20-14-7-4-9-8-10(18)5-6-12(9)19-14/h1-8H,18H2,(H,19,20).
What are the key properties of 2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine?
2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine has a molecular weight of 304.18 g/mol, XLogP of 4.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine is sourced from PubChem (CID 43450981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).