4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine

C15H11ClIN3 — CID 107606277

IUPAC4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1Nc1ccc(I)cc1Cl
InChIInChI=1S/C15H11ClIN3/c16-11-7-9(17)5-6-14(11)20-15-10-3-1-2-4-13(10)19-8-12(15)18/h1-8H,18H2,(H,19,20)
InChIKeyJLJXVGVDMULIDB-UHFFFAOYSA-N
MW395.63 g/mol
LogP4.82
Rot. Bonds2

About 4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine

4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine (PubChem CID 107606277) has the molecular formula C15H11ClIN3 and a molecular weight of 395.63 g/mol. Its IUPAC name is 4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine
PubChem CID107606277
Molecular FormulaC15H11ClIN3
Molecular Weight395.63 g/mol
Exact Mass394.97
IUPAC Name4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1Nc1ccc(I)cc1Cl
InChIInChI=1S/C15H11ClIN3/c16-11-7-9(17)5-6-14(11)20-15-10-3-1-2-4-13(10)19-8-12(15)18/h1-8H,18H2,(H,19,20)
InChIKeyJLJXVGVDMULIDB-UHFFFAOYSA-N
XLogP4.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.63
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-chloro-5-methylphenyl)quinoline-3,4-diamine
CID 107634067
4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine
CID 103963431
4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine
CID 107643533
4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine
CID 103963244
8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
CID 107606169
4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine
CID 103962773
4-(acridin-9-ylamino)-3-chlorophenol
CID 171978533
3-amino-2-(2-chloro-4-iodoanilino)benzamide
CID 107607634
4-N-(3-fluoro-5-methylphenyl)quinoline-3,4-diamine
CID 103963436
3-amino-2-(2-chloro-4-iodoanilino)benzoic acid
CID 107607626
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845874

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine (CID 107606277) is 4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine is Nc1cnc2ccccc2c1Nc1ccc(I)cc1Cl.
What is the InChIKey of 4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine?
The InChIKey is JLJXVGVDMULIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClIN3/c16-11-7-9(17)5-6-14(11)20-15-10-3-1-2-4-13(10)19-8-12(15)18/h1-8H,18H2,(H,19,20).
What are the key properties of 4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine?
4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine has a molecular weight of 395.63 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine is sourced from PubChem (CID 107606277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).