6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline

C14H12Cl2N4O2 — CID 10678140

IUPAC6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline
SMILESCOc1nc2cc(Cl)c(Cl)c(Cn3ccnc3)c2nc1OC
InChIInChI=1S/C14H12Cl2N4O2/c1-21-13-14(22-2)19-12-8(6-20-4-3-17-7-20)11(16)9(15)5-10(12)18-13/h3-5,7H,6H2,1-2H3
InChIKeyMVTHMQMXJKLBEM-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.20
Rot. Bonds4

About 6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline

6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline (PubChem CID 10678140) has the molecular formula C14H12Cl2N4O2 and a molecular weight of 339.18 g/mol. Its IUPAC name is 6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline.

Molecular Properties

Compound Name6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline
PubChem CID10678140
Molecular FormulaC14H12Cl2N4O2
Molecular Weight339.18 g/mol
Exact Mass338.03
IUPAC Name6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline
SMILESCOc1nc2cc(Cl)c(Cl)c(Cn3ccnc3)c2nc1OC
InChIInChI=1S/C14H12Cl2N4O2/c1-21-13-14(22-2)19-12-8(6-20-4-3-17-7-20)11(16)9(15)5-10(12)18-13/h3-5,7H,6H2,1-2H3
InChIKeyMVTHMQMXJKLBEM-UHFFFAOYSA-N
XLogP3.20
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethoxyphenyl]methyl]imidazole
CID 102363409
6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline
CID 10642763
(7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide
CID 86753465
1-[(4-chloro-2-methoxyphenyl)methyl]imidazole
CID 69219836
1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole
CID 53322953
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine
CID 77095111
4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine
CID 131091988
[4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol
CID 22614881
3-chloro-6-(imidazol-1-ylmethyl)quinoline
CID 174964420
methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 130289829
1-[(2,5-dimethoxyphenyl)methyl]imidazole
CID 82079239

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline?
The IUPAC name of 6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline (CID 10678140) is 6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline.
What is the SMILES notation for 6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline?
The canonical SMILES for 6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline is COc1nc2cc(Cl)c(Cl)c(Cn3ccnc3)c2nc1OC.
What is the InChIKey of 6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline?
The InChIKey is MVTHMQMXJKLBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O2/c1-21-13-14(22-2)19-12-8(6-20-4-3-17-7-20)11(16)9(15)5-10(12)18-13/h3-5,7H,6H2,1-2H3.
What are the key properties of 6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline?
6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline has a molecular weight of 339.18 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-(imidazol-1-ylmethyl)-2,3-dimethoxyquinoxaline is sourced from PubChem (CID 10678140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).