1-methylquinolin-4-imine

C10H10N2 — CID 3083764

IUPAC1-methylquinolin-4-imine
SMILES[H]/N=c1\ccn(C)c2ccccc12
InChIInChI=1S/C10H10N2/c1-12-7-6-9(11)8-4-2-3-5-10(8)12/h2-7,11H,1H3/b11-9+
InChIKeyAZHUOPNKXMFIAA-PKNBQFBNSA-N
MW158.20 g/mol
LogP1.66
Rot. Bonds

About 1-methylquinolin-4-imine

1-methylquinolin-4-imine (PubChem CID 3083764) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-methylquinolin-4-imine.

Molecular Properties

Compound Name1-methylquinolin-4-imine
PubChem CID3083764
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1-methylquinolin-4-imine
SMILES[H]/N=c1\ccn(C)c2ccccc12
InChIInChI=1S/C10H10N2/c1-12-7-6-9(11)8-4-2-3-5-10(8)12/h2-7,11H,1H3/b11-9+
InChIKeyAZHUOPNKXMFIAA-PKNBQFBNSA-N
XLogP1.66
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylquinolin-4-imine?
The IUPAC name of 1-methylquinolin-4-imine (CID 3083764) is 1-methylquinolin-4-imine.
What is the SMILES notation for 1-methylquinolin-4-imine?
The canonical SMILES for 1-methylquinolin-4-imine is [H]/N=c1\ccn(C)c2ccccc12.
What is the InChIKey of 1-methylquinolin-4-imine?
The InChIKey is AZHUOPNKXMFIAA-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H10N2/c1-12-7-6-9(11)8-4-2-3-5-10(8)12/h2-7,11H,1H3/b11-9+.
What are the key properties of 1-methylquinolin-4-imine?
1-methylquinolin-4-imine has a molecular weight of 158.20 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylquinolin-4-imine is sourced from PubChem (CID 3083764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).