4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine

C19H21N3 — CID 828014

IUPAC4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine
SMILESCc1ccc(C)c(Nc2cc(C)nc3c(C)ccc(N)c23)c1
InChIInChI=1S/C19H21N3/c1-11-5-6-12(2)16(9-11)22-17-10-14(4)21-19-13(3)7-8-15(20)18(17)19/h5-10H,20H2,1-4H3,(H,21,22)
InChIKeyBEQHEOHLNIDUCH-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.79
Rot. Bonds2

About 4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine

4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine (PubChem CID 828014) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine
PubChem CID828014
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine
SMILESCc1ccc(C)c(Nc2cc(C)nc3c(C)ccc(N)c23)c1
InChIInChI=1S/C19H21N3/c1-11-5-6-12(2)16(9-11)22-17-10-14(4)21-19-13(3)7-8-15(20)18(17)19/h5-10H,20H2,1-4H3,(H,21,22)
InChIKeyBEQHEOHLNIDUCH-UHFFFAOYSA-N
XLogP4.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine (CID 828014) is 4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine is Cc1ccc(C)c(Nc2cc(C)nc3c(C)ccc(N)c23)c1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine?
The InChIKey is BEQHEOHLNIDUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-11-5-6-12(2)16(9-11)22-17-10-14(4)21-19-13(3)7-8-15(20)18(17)19/h5-10H,20H2,1-4H3,(H,21,22).
What are the key properties of 4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine?
4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine has a molecular weight of 291.40 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine is sourced from PubChem (CID 828014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).