4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine

C15H11Cl2N3 — CID 103000343

IUPAC4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine
SMILESNc1ccc2c(Nc3cccc(Cl)c3Cl)ccnc2c1
InChIInChI=1S/C15H11Cl2N3/c16-11-2-1-3-13(15(11)17)20-12-6-7-19-14-8-9(18)4-5-10(12)14/h1-8H,18H2,(H,19,20)
InChIKeyDYRHQVRWOGDCDR-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.87
Rot. Bonds2

About 4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine

4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine (PubChem CID 103000343) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine
PubChem CID103000343
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine
SMILESNc1ccc2c(Nc3cccc(Cl)c3Cl)ccnc2c1
InChIInChI=1S/C15H11Cl2N3/c16-11-2-1-3-13(15(11)17)20-12-6-7-19-14-8-9(18)4-5-10(12)14/h1-8H,18H2,(H,19,20)
InChIKeyDYRHQVRWOGDCDR-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

4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine
CID 65337053
4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine
CID 103000338
4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine
CID 61340093
2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine
CID 43148682
4-N-(2-ethoxyphenyl)quinoline-4,7-diamine
CID 103000246
4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
CID 4764118
N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine
CID 50877911
2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine
CID 43450981
2-[(7-aminoquinolin-4-yl)amino]-5-bromobenzonitrile
CID 103001604
6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one
CID 136808641
4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine
CID 106750347
N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine
CID 63765703

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine (CID 103000343) is 4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine is Nc1ccc2c(Nc3cccc(Cl)c3Cl)ccnc2c1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine?
The InChIKey is DYRHQVRWOGDCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-11-2-1-3-13(15(11)17)20-12-6-7-19-14-8-9(18)4-5-10(12)14/h1-8H,18H2,(H,19,20).
What are the key properties of 4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine?
4-N-(2,3-dichlorophenyl)quinoline-4,7-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 4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine is sourced from PubChem (CID 103000343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).