2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one

C16H15NO2 — CID 12519796

IUPAC2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one
SMILESCOc1ccc(-c2ccc3c(n2)CCCC3=O)cc1
InChIInChI=1S/C16H15NO2/c1-19-12-7-5-11(6-8-12)14-10-9-13-15(17-14)3-2-4-16(13)18/h5-10H,2-4H2,1H3
InChIKeyONRIYMNONIBKPN-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.28
Rot. Bonds2

About 2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one

2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one (PubChem CID 12519796) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one
PubChem CID12519796
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one
SMILESCOc1ccc(-c2ccc3c(n2)CCCC3=O)cc1
InChIInChI=1S/C16H15NO2/c1-19-12-7-5-11(6-8-12)14-10-9-13-15(17-14)3-2-4-16(13)18/h5-10H,2-4H2,1H3
InChIKeyONRIYMNONIBKPN-UHFFFAOYSA-N
XLogP3.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one (CID 12519796) is 2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one is COc1ccc(-c2ccc3c(n2)CCCC3=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is ONRIYMNONIBKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-12-7-5-11(6-8-12)14-10-9-13-15(17-14)3-2-4-16(13)18/h5-10H,2-4H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one?
2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 253.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 12519796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).