4-methyl-2-(3-methylpyrazol-1-yl)quinoline

C14H13N3 — CID 10561051

IUPAC4-methyl-2-(3-methylpyrazol-1-yl)quinoline
SMILESCc1ccn(-c2cc(C)c3ccccc3n2)n1
InChIInChI=1S/C14H13N3/c1-10-9-14(17-8-7-11(2)16-17)15-13-6-4-3-5-12(10)13/h3-9H,1-2H3
InChIKeySJAUXSBYSYBPIF-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.04
Rot. Bonds1

About 4-methyl-2-(3-methylpyrazol-1-yl)quinoline

4-methyl-2-(3-methylpyrazol-1-yl)quinoline (PubChem CID 10561051) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-methyl-2-(3-methylpyrazol-1-yl)quinoline.

Molecular Properties

Compound Name4-methyl-2-(3-methylpyrazol-1-yl)quinoline
PubChem CID10561051
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-methyl-2-(3-methylpyrazol-1-yl)quinoline
SMILESCc1ccn(-c2cc(C)c3ccccc3n2)n1
InChIInChI=1S/C14H13N3/c1-10-9-14(17-8-7-11(2)16-17)15-13-6-4-3-5-12(10)13/h3-9H,1-2H3
InChIKeySJAUXSBYSYBPIF-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylpyrazol-1-yl)quinoline?
The IUPAC name of 4-methyl-2-(3-methylpyrazol-1-yl)quinoline (CID 10561051) is 4-methyl-2-(3-methylpyrazol-1-yl)quinoline.
What is the SMILES notation for 4-methyl-2-(3-methylpyrazol-1-yl)quinoline?
The canonical SMILES for 4-methyl-2-(3-methylpyrazol-1-yl)quinoline is Cc1ccn(-c2cc(C)c3ccccc3n2)n1.
What is the InChIKey of 4-methyl-2-(3-methylpyrazol-1-yl)quinoline?
The InChIKey is SJAUXSBYSYBPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-9-14(17-8-7-11(2)16-17)15-13-6-4-3-5-12(10)13/h3-9H,1-2H3.
What are the key properties of 4-methyl-2-(3-methylpyrazol-1-yl)quinoline?
4-methyl-2-(3-methylpyrazol-1-yl)quinoline has a molecular weight of 223.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylpyrazol-1-yl)quinoline is sourced from PubChem (CID 10561051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).