3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one

C17H17NO2 — CID 2839502

IUPAC3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one
SMILESCc1nc2c(cc1C(=O)C=Cc1ccco1)CCCC2
InChIInChI=1S/C17H17NO2/c1-12-15(11-13-5-2-3-7-16(13)18-12)17(19)9-8-14-6-4-10-20-14/h4,6,8-11H,2-3,5,7H2,1H3
InChIKeyRTPMJGDZEFUGOE-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.76
Rot. Bonds3

About 3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one

3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one (PubChem CID 2839502) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one
PubChem CID2839502
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one
SMILESCc1nc2c(cc1C(=O)C=Cc1ccco1)CCCC2
InChIInChI=1S/C17H17NO2/c1-12-15(11-13-5-2-3-7-16(13)18-12)17(19)9-8-14-6-4-10-20-14/h4,6,8-11H,2-3,5,7H2,1H3
InChIKeyRTPMJGDZEFUGOE-UHFFFAOYSA-N
XLogP3.76
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one?
The IUPAC name of 3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one (CID 2839502) is 3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one is Cc1nc2c(cc1C(=O)C=Cc1ccco1)CCCC2.
What is the InChIKey of 3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one?
The InChIKey is RTPMJGDZEFUGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-15(11-13-5-2-3-7-16(13)18-12)17(19)9-8-14-6-4-10-20-14/h4,6,8-11H,2-3,5,7H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one?
3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 2839502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).