3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine

C17H16ClN3 — CID 122688168

IUPAC3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine
SMILESCN(C)c1ccc2cc(-c3ccccc3Cl)c(N)nc2c1
InChIInChI=1S/C17H16ClN3/c1-21(2)12-8-7-11-9-14(17(19)20-16(11)10-12)13-5-3-4-6-15(13)18/h3-10H,1-2H3,(H2,19,20)
InChIKeyKGVHKDJEQRURIE-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.20
Rot. Bonds2

About 3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine

3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine (PubChem CID 122688168) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine
PubChem CID122688168
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine
SMILESCN(C)c1ccc2cc(-c3ccccc3Cl)c(N)nc2c1
InChIInChI=1S/C17H16ClN3/c1-21(2)12-8-7-11-9-14(17(19)20-16(11)10-12)13-5-3-4-6-15(13)18/h3-10H,1-2H3,(H2,19,20)
InChIKeyKGVHKDJEQRURIE-UHFFFAOYSA-N
XLogP4.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine?
The IUPAC name of 3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine (CID 122688168) is 3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine.
What is the SMILES notation for 3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine?
The canonical SMILES for 3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine is CN(C)c1ccc2cc(-c3ccccc3Cl)c(N)nc2c1.
What is the InChIKey of 3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine?
The InChIKey is KGVHKDJEQRURIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-21(2)12-8-7-11-9-14(17(19)20-16(11)10-12)13-5-3-4-6-15(13)18/h3-10H,1-2H3,(H2,19,20).
What are the key properties of 3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine?
3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine has a molecular weight of 297.79 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine is sourced from PubChem (CID 122688168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).