7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline

C18H15N — CID 67510745

IUPAC7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline
SMILESCC1C=Cc2cc(C#Cc3ccccc3)cnc2C1
InChIInChI=1S/C18H15N/c1-14-7-10-17-12-16(13-19-18(17)11-14)9-8-15-5-3-2-4-6-15/h2-7,10,12-14H,11H2,1H3
InChIKeyIUDXVVLNFOXBSL-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.69
Rot. Bonds

About 7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline

7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline (PubChem CID 67510745) has the molecular formula C18H15N and a molecular weight of 245.32 g/mol. Its IUPAC name is 7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline.

Molecular Properties

Compound Name7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline
PubChem CID67510745
Molecular FormulaC18H15N
Molecular Weight245.32 g/mol
Exact Mass245.12
IUPAC Name7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline
SMILESCC1C=Cc2cc(C#Cc3ccccc3)cnc2C1
InChIInChI=1S/C18H15N/c1-14-7-10-17-12-16(13-19-18(17)11-14)9-8-15-5-3-2-4-6-15/h2-7,10,12-14H,11H2,1H3
InChIKeyIUDXVVLNFOXBSL-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.69
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 7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline?
The IUPAC name of 7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline (CID 67510745) is 7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline.
What is the SMILES notation for 7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline?
The canonical SMILES for 7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline is CC1C=Cc2cc(C#Cc3ccccc3)cnc2C1.
What is the InChIKey of 7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline?
The InChIKey is IUDXVVLNFOXBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c1-14-7-10-17-12-16(13-19-18(17)11-14)9-8-15-5-3-2-4-6-15/h2-7,10,12-14H,11H2,1H3.
What are the key properties of 7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline?
7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline has a molecular weight of 245.32 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-phenylethynyl)-7,8-dihydroquinoline is sourced from PubChem (CID 67510745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).