3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone

C17H17NO2 — CID 710667

IUPAC3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C17H17NO2/c1-20-15-10-8-14(9-11-15)17(19)18-12-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-11H,4,6,12H2,1H3
InChIKeyISOIKTAKKIUWNB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.29
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone

3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone (PubChem CID 710667) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone
PubChem CID710667
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C17H17NO2/c1-20-15-10-8-14(9-11-15)17(19)18-12-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-11H,4,6,12H2,1H3
InChIKeyISOIKTAKKIUWNB-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone (CID 710667) is 3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone?
The InChIKey is ISOIKTAKKIUWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-15-10-8-14(9-11-15)17(19)18-12-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-11H,4,6,12H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone is sourced from PubChem (CID 710667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).