4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine

C16H14ClN3 — CID 103963431

IUPAC4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine
SMILESCc1cccc(Cl)c1Nc1c(N)cnc2ccccc12
InChIInChI=1S/C16H14ClN3/c1-10-5-4-7-12(17)15(10)20-16-11-6-2-3-8-14(11)19-9-13(16)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeyGAYYHWXREOFPFQ-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.52
Rot. Bonds2

About 4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine

4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine (PubChem CID 103963431) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine
PubChem CID103963431
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine
SMILESCc1cccc(Cl)c1Nc1c(N)cnc2ccccc12
InChIInChI=1S/C16H14ClN3/c1-10-5-4-7-12(17)15(10)20-16-11-6-2-3-8-14(11)19-9-13(16)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeyGAYYHWXREOFPFQ-UHFFFAOYSA-N
XLogP4.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine (CID 103963431) is 4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine is Cc1cccc(Cl)c1Nc1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine?
The InChIKey is GAYYHWXREOFPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-10-5-4-7-12(17)15(10)20-16-11-6-2-3-8-14(11)19-9-13(16)18/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of 4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine?
4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine has a molecular weight of 283.76 g/mol, XLogP of 4.52, 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-6-methylphenyl)quinoline-3,4-diamine is sourced from PubChem (CID 103963431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).