6-methyl-4-N-phenylquinoline-3,4-diamine

C16H15N3 — CID 142830758

IUPAC6-methyl-4-N-phenylquinoline-3,4-diamine
SMILESCc1ccc2ncc(N)c(Nc3ccccc3)c2c1
InChIInChI=1S/C16H15N3/c1-11-7-8-15-13(9-11)16(14(17)10-18-15)19-12-5-3-2-4-6-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyIPYXVZAMUGDAMH-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.87
Rot. Bonds2

About 6-methyl-4-N-phenylquinoline-3,4-diamine

6-methyl-4-N-phenylquinoline-3,4-diamine (PubChem CID 142830758) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-methyl-4-N-phenylquinoline-3,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-phenylquinoline-3,4-diamine
PubChem CID142830758
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name6-methyl-4-N-phenylquinoline-3,4-diamine
SMILESCc1ccc2ncc(N)c(Nc3ccccc3)c2c1
InChIInChI=1S/C16H15N3/c1-11-7-8-15-13(9-11)16(14(17)10-18-15)19-12-5-3-2-4-6-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyIPYXVZAMUGDAMH-UHFFFAOYSA-N
XLogP3.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-fluoro-5-methylphenyl)quinoline-3,4-diamine
CID 103963436
4-N-(2-chloro-5-methylphenyl)quinoline-3,4-diamine
CID 107634067
4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine
CID 103963515
6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
CID 123804895
4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide
CID 158839426
6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine
CID 118077835
4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine
CID 103963431
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285
ethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate
CID 57058432
4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine
CID 103962773
2-methylphenanthridine
CID 14384826
6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine
CID 43621240

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-phenylquinoline-3,4-diamine?
The IUPAC name of 6-methyl-4-N-phenylquinoline-3,4-diamine (CID 142830758) is 6-methyl-4-N-phenylquinoline-3,4-diamine.
What is the SMILES notation for 6-methyl-4-N-phenylquinoline-3,4-diamine?
The canonical SMILES for 6-methyl-4-N-phenylquinoline-3,4-diamine is Cc1ccc2ncc(N)c(Nc3ccccc3)c2c1.
What is the InChIKey of 6-methyl-4-N-phenylquinoline-3,4-diamine?
The InChIKey is IPYXVZAMUGDAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-7-8-15-13(9-11)16(14(17)10-18-15)19-12-5-3-2-4-6-12/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 6-methyl-4-N-phenylquinoline-3,4-diamine?
6-methyl-4-N-phenylquinoline-3,4-diamine has a molecular weight of 249.32 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-phenylquinoline-3,4-diamine is sourced from PubChem (CID 142830758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).