2,4,5-trimethylquinolin-8-amine

C12H14N2 — CID 21388015

IUPAC2,4,5-trimethylquinolin-8-amine
SMILESCc1cc(C)c2c(C)ccc(N)c2n1
InChIInChI=1S/C12H14N2/c1-7-4-5-10(13)12-11(7)8(2)6-9(3)14-12/h4-6H,13H2,1-3H3
InChIKeyRSELVIMARKUGRN-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.74
Rot. Bonds

About 2,4,5-trimethylquinolin-8-amine

2,4,5-trimethylquinolin-8-amine (PubChem CID 21388015) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2,4,5-trimethylquinolin-8-amine.

Molecular Properties

Compound Name2,4,5-trimethylquinolin-8-amine
PubChem CID21388015
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2,4,5-trimethylquinolin-8-amine
SMILESCc1cc(C)c2c(C)ccc(N)c2n1
InChIInChI=1S/C12H14N2/c1-7-4-5-10(13)12-11(7)8(2)6-9(3)14-12/h4-6H,13H2,1-3H3
InChIKeyRSELVIMARKUGRN-UHFFFAOYSA-N
XLogP2.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tacrine
CID 1935
Proflavine
CID 7099
2-Methylquinoline
CID 7060
2,9-Dimethyl-1,10-phenanthroline
CID 65237
2,6-Dimethylquinoline
CID 13414
4-Amino-2-methylquinoline
CID 81116
3-Aminoquinoline
CID 11375
2-Methylquinolin-6-amine
CID 103148
2,4-Dimethylquinoline
CID 14536
2-Methyl-8-aminoquinoline
CID 140457
8-Aminoquinoline
CID 11359
Benz(a)acridine
CID 9180

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethylquinolin-8-amine?
The IUPAC name of 2,4,5-trimethylquinolin-8-amine (CID 21388015) is 2,4,5-trimethylquinolin-8-amine.
What is the SMILES notation for 2,4,5-trimethylquinolin-8-amine?
The canonical SMILES for 2,4,5-trimethylquinolin-8-amine is Cc1cc(C)c2c(C)ccc(N)c2n1.
What is the InChIKey of 2,4,5-trimethylquinolin-8-amine?
The InChIKey is RSELVIMARKUGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-7-4-5-10(13)12-11(7)8(2)6-9(3)14-12/h4-6H,13H2,1-3H3.
What are the key properties of 2,4,5-trimethylquinolin-8-amine?
2,4,5-trimethylquinolin-8-amine has a molecular weight of 186.26 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethylquinolin-8-amine is sourced from PubChem (CID 21388015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).