2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline

C19H13N3 — CID 53257975

IUPAC2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline
SMILESC#CCn1c(-c2ccccc2)nc2c3ccccc3ncc21
InChIInChI=1S/C19H13N3/c1-2-12-22-17-13-20-16-11-7-6-10-15(16)18(17)21-19(22)14-8-4-3-5-9-14/h1,3-11,13H,12H2
InChIKeyRTAAEOUEMLBHOI-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.88
Rot. Bonds2

About 2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline

2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline (PubChem CID 53257975) has the molecular formula C19H13N3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline
PubChem CID53257975
Molecular FormulaC19H13N3
Molecular Weight283.33 g/mol
Exact Mass283.11
IUPAC Name2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline
SMILESC#CCn1c(-c2ccccc2)nc2c3ccccc3ncc21
InChIInChI=1S/C19H13N3/c1-2-12-22-17-13-20-16-11-7-6-10-15(16)18(17)21-19(22)14-8-4-3-5-9-14/h1,3-11,13H,12H2
InChIKeyRTAAEOUEMLBHOI-UHFFFAOYSA-N
XLogP3.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-6-oxo-2-phenyl-1-prop-2-ynylpyrimidine-4-carboxylic acid
CID 19690715
2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole
CID 19243357
2,10,13,21-tetrazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 12589043
3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 14207921
3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline
CID 50973787
2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole
CID 2992200
2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine
CID 53275789
2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole
CID 3463728
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
1-(2-methylpropyl)-2-phenylimidazo[4,5-c]quinolin-4-amine
CID 11209291
2-phenyl-1-(2-pyridin-2-ylethyl)benzimidazole
CID 12758390

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline?
The IUPAC name of 2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline (CID 53257975) is 2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline.
What is the SMILES notation for 2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline?
The canonical SMILES for 2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline is C#CCn1c(-c2ccccc2)nc2c3ccccc3ncc21.
What is the InChIKey of 2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline?
The InChIKey is RTAAEOUEMLBHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3/c1-2-12-22-17-13-20-16-11-7-6-10-15(16)18(17)21-19(22)14-8-4-3-5-9-14/h1,3-11,13H,12H2.
What are the key properties of 2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline?
2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline has a molecular weight of 283.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-prop-2-ynylimidazo[4,5-c]quinoline is sourced from PubChem (CID 53257975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).