N-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine

C15H16N4 — CID 82903444

IUPACN-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine
SMILESCNC(c1cccc2cccnc12)c1cncn1C
InChIInChI=1S/C15H16N4/c1-16-15(13-9-17-10-19(13)2)12-7-3-5-11-6-4-8-18-14(11)12/h3-10,15-16H,1-2H3
InChIKeyPULQVLOQWPABRZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.28
Rot. Bonds3

About N-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine

N-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine (PubChem CID 82903444) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine
PubChem CID82903444
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine
SMILESCNC(c1cccc2cccnc12)c1cncn1C
InChIInChI=1S/C15H16N4/c1-16-15(13-9-17-10-19(13)2)12-7-3-5-11-6-4-8-18-14(11)12/h3-10,15-16H,1-2H3
InChIKeyPULQVLOQWPABRZ-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-isoquinolin-5-yl-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82901693
1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82902135
N-methyl-1-(2-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172443
N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172541
1-(2,6-difluorophenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 81229518
N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine
CID 105172471
1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 78917786
1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 114604500
1-(1-ethylimidazol-2-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 62875579
1-(5-chlorofuran-2-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 106692805
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-8-ylmethanamine
CID 106755698
N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine
CID 105021332

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine?
The IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine (CID 82903444) is N-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine.
What is the SMILES notation for N-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine?
The canonical SMILES for N-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine is CNC(c1cccc2cccnc12)c1cncn1C.
What is the InChIKey of N-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine?
The InChIKey is PULQVLOQWPABRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-16-15(13-9-17-10-19(13)2)12-7-3-5-11-6-4-8-18-14(11)12/h3-10,15-16H,1-2H3.
What are the key properties of N-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine?
N-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 82903444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).