6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline

C12H8Cl2N4 — CID 14837827

IUPAC6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline
SMILESCc1cc(-n2cncn2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C12H8Cl2N4/c1-7-2-11(18-6-15-5-16-18)9-3-8(13)4-10(14)12(9)17-7/h2-6H,1H3
InChIKeyMOOQWHYQSJMYHN-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.43
Rot. Bonds1

About 6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline

6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline (PubChem CID 14837827) has the molecular formula C12H8Cl2N4 and a molecular weight of 279.13 g/mol. Its IUPAC name is 6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline.

Molecular Properties

Compound Name6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline
PubChem CID14837827
Molecular FormulaC12H8Cl2N4
Molecular Weight279.13 g/mol
Exact Mass278.01
IUPAC Name6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline
SMILESCc1cc(-n2cncn2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C12H8Cl2N4/c1-7-2-11(18-6-15-5-16-18)9-3-8(13)4-10(14)12(9)17-7/h2-6H,1H3
InChIKeyMOOQWHYQSJMYHN-UHFFFAOYSA-N
XLogP3.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline?
The IUPAC name of 6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline (CID 14837827) is 6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline.
What is the SMILES notation for 6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline?
The canonical SMILES for 6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline is Cc1cc(-n2cncn2)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline?
The InChIKey is MOOQWHYQSJMYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4/c1-7-2-11(18-6-15-5-16-18)9-3-8(13)4-10(14)12(9)17-7/h2-6H,1H3.
What are the key properties of 6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline?
6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline has a molecular weight of 279.13 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline is sourced from PubChem (CID 14837827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).