1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone

C17H18N2O — CID 102662618

IUPAC1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2Cc1cccnc1
InChIInChI=1S/C17H18N2O/c1-13(20)15-6-7-17-16(10-15)5-3-9-19(17)12-14-4-2-8-18-11-14/h2,4,6-8,10-11H,3,5,9,12H2,1H3
InChIKeyXMDRMXVDQSRNEF-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.24
Rot. Bonds3

About 1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone

1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone (PubChem CID 102662618) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
PubChem CID102662618
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2Cc1cccnc1
InChIInChI=1S/C17H18N2O/c1-13(20)15-6-7-17-16(10-15)5-3-9-19(17)12-14-4-2-8-18-11-14/h2,4,6-8,10-11H,3,5,9,12H2,1H3
InChIKeyXMDRMXVDQSRNEF-UHFFFAOYSA-N
XLogP3.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The IUPAC name of 1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone (CID 102662618) is 1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The canonical SMILES for 1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone is CC(=O)c1ccc2c(c1)CCCN2Cc1cccnc1.
What is the InChIKey of 1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The InChIKey is XMDRMXVDQSRNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13(20)15-6-7-17-16(10-15)5-3-9-19(17)12-14-4-2-8-18-11-14/h2,4,6-8,10-11H,3,5,9,12H2,1H3.
What are the key properties of 1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone is sourced from PubChem (CID 102662618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).