1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine

C16H17ClN4 — CID 60696068

IUPAC1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCN(Cc1cc2ccccc2nc1Cl)Cc1nccn1C
InChIInChI=1S/C16H17ClN4/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
InChIKeyQFPMFAAHYLRSHJ-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.25
Rot. Bonds4

About 1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 60696068) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID60696068
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCN(Cc1cc2ccccc2nc1Cl)Cc1nccn1C
InChIInChI=1S/C16H17ClN4/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
InChIKeyQFPMFAAHYLRSHJ-UHFFFAOYSA-N
XLogP3.25
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine
CID 63025119
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 112616300
N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine
CID 54938310
N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 62060549
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696333
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63276042
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 82979591
3-chloro-4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenecarbothioamide
CID 102666237
1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 55150335
1-(4-bromo-2-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60695988
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79702363

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 60696068) is 1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine is CN(Cc1cc2ccccc2nc1Cl)Cc1nccn1C.
What is the InChIKey of 1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is QFPMFAAHYLRSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/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.
What are the key properties of 1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 300.79 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 60696068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).