6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine

C14H12BrClN4 — CID 133437021

IUPAC6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine
SMILESCn1ccnc1CNc1ccc2cc(Br)cc(Cl)c2n1
InChIInChI=1S/C14H12BrClN4/c1-20-5-4-17-13(20)8-18-12-3-2-9-6-10(15)7-11(16)14(9)19-12/h2-7H,8H2,1H3,(H,18,19)
InChIKeyZRQPYLBDAFVGOD-UHFFFAOYSA-N
MW351.64 g/mol
LogP4.00
Rot. Bonds3

About 6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine

6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine (PubChem CID 133437021) has the molecular formula C14H12BrClN4 and a molecular weight of 351.64 g/mol. Its IUPAC name is 6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine
PubChem CID133437021
Molecular FormulaC14H12BrClN4
Molecular Weight351.64 g/mol
Exact Mass349.99
IUPAC Name6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine
SMILESCn1ccnc1CNc1ccc2cc(Br)cc(Cl)c2n1
InChIInChI=1S/C14H12BrClN4/c1-20-5-4-17-13(20)8-18-12-3-2-9-6-10(15)7-11(16)14(9)19-12/h2-7H,8H2,1H3,(H,18,19)
InChIKeyZRQPYLBDAFVGOD-UHFFFAOYSA-N
XLogP4.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43142883
2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 63294630
3-[(6-bromo-8-chloroquinolin-2-yl)amino]propan-1-ol
CID 75445295
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine
CID 80829255
N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide
CID 133437081
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80913707
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
6-chloro-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 63294100
6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936719
2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087854
5-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63295615
3-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 133436656

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine?
The IUPAC name of 6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine (CID 133437021) is 6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine.
What is the SMILES notation for 6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine?
The canonical SMILES for 6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine is Cn1ccnc1CNc1ccc2cc(Br)cc(Cl)c2n1.
What is the InChIKey of 6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine?
The InChIKey is ZRQPYLBDAFVGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN4/c1-20-5-4-17-13(20)8-18-12-3-2-9-6-10(15)7-11(16)14(9)19-12/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine?
6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine has a molecular weight of 351.64 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 133437021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).