3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine

C16H19N5 — CID 63025119

IUPAC3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine
SMILESCN(Cc1cc2ccccc2nc1N)Cc1nccn1C
InChIInChI=1S/C16H19N5/c1-20(11-15-18-7-8-21(15)2)10-13-9-12-5-3-4-6-14(12)19-16(13)17/h3-9H,10-11H2,1-2H3,(H2,17,19)
InChIKeyVEXRDIGEIBWBSW-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.18
Rot. Bonds4

About 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine

3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine (PubChem CID 63025119) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine
PubChem CID63025119
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine
SMILESCN(Cc1cc2ccccc2nc1N)Cc1nccn1C
InChIInChI=1S/C16H19N5/c1-20(11-15-18-7-8-21(15)2)10-13-9-12-5-3-4-6-14(12)19-16(13)17/h3-9H,10-11H2,1-2H3,(H2,17,19)
InChIKeyVEXRDIGEIBWBSW-UHFFFAOYSA-N
XLogP2.18
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60696068
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine
CID 112664241
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696333
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine
CID 104740060
1-(4-bromo-2-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60695988
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 82979591
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 55150343
7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63014602
3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine
CID 63711975
2-fluoro-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenecarbothioamide
CID 107115558
[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63888079

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine?
The IUPAC name of 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine (CID 63025119) is 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine.
What is the SMILES notation for 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine?
The canonical SMILES for 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine is CN(Cc1cc2ccccc2nc1N)Cc1nccn1C.
What is the InChIKey of 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine?
The InChIKey is VEXRDIGEIBWBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-20(11-15-18-7-8-21(15)2)10-13-9-12-5-3-4-6-14(12)19-16(13)17/h3-9H,10-11H2,1-2H3,(H2,17,19).
What are the key properties of 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine?
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine is sourced from PubChem (CID 63025119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).