1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine

C17H17N3 — CID 154949074

IUPAC1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine
SMILESCNc1ccc(Nc2nc3ccccc3cc2C)cc1
InChIInChI=1S/C17H17N3/c1-12-11-13-5-3-4-6-16(13)20-17(12)19-15-9-7-14(18-2)8-10-15/h3-11,18H,1-2H3,(H,19,20)
InChIKeyCGPCGVATKPIEGJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.33
Rot. Bonds3

About 1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine

1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine (PubChem CID 154949074) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine
PubChem CID154949074
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine
SMILESCNc1ccc(Nc2nc3ccccc3cc2C)cc1
InChIInChI=1S/C17H17N3/c1-12-11-13-5-3-4-6-16(13)20-17(12)19-15-9-7-14(18-2)8-10-15/h3-11,18H,1-2H3,(H,19,20)
InChIKeyCGPCGVATKPIEGJ-UHFFFAOYSA-N
XLogP4.33
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine (CID 154949074) is 1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine is CNc1ccc(Nc2nc3ccccc3cc2C)cc1.
What is the InChIKey of 1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine?
The InChIKey is CGPCGVATKPIEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-11-13-5-3-4-6-16(13)20-17(12)19-15-9-7-14(18-2)8-10-15/h3-11,18H,1-2H3,(H,19,20).
What are the key properties of 1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine?
1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine has a molecular weight of 263.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 154949074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).