4-methyl-3-prop-1-ynylquinoline

C13H11N — CID 145265630

IUPAC4-methyl-3-prop-1-ynylquinoline
SMILESCC#Cc1cnc2ccccc2c1C
InChIInChI=1S/C13H11N/c1-3-6-11-9-14-13-8-5-4-7-12(13)10(11)2/h4-5,7-9H,1-2H3
InChIKeyOQDULYOTOLDJGH-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.91
Rot. Bonds

About 4-methyl-3-prop-1-ynylquinoline

4-methyl-3-prop-1-ynylquinoline (PubChem CID 145265630) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-methyl-3-prop-1-ynylquinoline.

Molecular Properties

Compound Name4-methyl-3-prop-1-ynylquinoline
PubChem CID145265630
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name4-methyl-3-prop-1-ynylquinoline
SMILESCC#Cc1cnc2ccccc2c1C
InChIInChI=1S/C13H11N/c1-3-6-11-9-14-13-8-5-4-7-12(13)10(11)2/h4-5,7-9H,1-2H3
InChIKeyOQDULYOTOLDJGH-UHFFFAOYSA-N
XLogP2.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-prop-1-ynylquinoline?
The IUPAC name of 4-methyl-3-prop-1-ynylquinoline (CID 145265630) is 4-methyl-3-prop-1-ynylquinoline.
What is the SMILES notation for 4-methyl-3-prop-1-ynylquinoline?
The canonical SMILES for 4-methyl-3-prop-1-ynylquinoline is CC#Cc1cnc2ccccc2c1C.
What is the InChIKey of 4-methyl-3-prop-1-ynylquinoline?
The InChIKey is OQDULYOTOLDJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-3-6-11-9-14-13-8-5-4-7-12(13)10(11)2/h4-5,7-9H,1-2H3.
What are the key properties of 4-methyl-3-prop-1-ynylquinoline?
4-methyl-3-prop-1-ynylquinoline has a molecular weight of 181.24 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-prop-1-ynylquinoline is sourced from PubChem (CID 145265630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).