6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline

C15H14ClN3 — CID 3065804

IUPAC6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline
SMILESCc1cc(C)n(-c2cc(C)c3cc(Cl)ccc3n2)n1
InChIInChI=1S/C15H14ClN3/c1-9-6-15(19-11(3)7-10(2)18-19)17-14-5-4-12(16)8-13(9)14/h4-8H,1-3H3
InChIKeyCNWBWCRRVGTPOD-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.00
Rot. Bonds1

About 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline

6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline (PubChem CID 3065804) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline.

Molecular Properties

Compound Name6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline
PubChem CID3065804
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline
SMILESCc1cc(C)n(-c2cc(C)c3cc(Cl)ccc3n2)n1
InChIInChI=1S/C15H14ClN3/c1-9-6-15(19-11(3)7-10(2)18-19)17-14-5-4-12(16)8-13(9)14/h4-8H,1-3H3
InChIKeyCNWBWCRRVGTPOD-UHFFFAOYSA-N
XLogP4.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline?
The IUPAC name of 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline (CID 3065804) is 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline.
What is the SMILES notation for 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline?
The canonical SMILES for 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline is Cc1cc(C)n(-c2cc(C)c3cc(Cl)ccc3n2)n1.
What is the InChIKey of 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline?
The InChIKey is CNWBWCRRVGTPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-9-6-15(19-11(3)7-10(2)18-19)17-14-5-4-12(16)8-13(9)14/h4-8H,1-3H3.
What are the key properties of 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline?
6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline has a molecular weight of 271.75 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline is sourced from PubChem (CID 3065804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).