(3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one

C20H17NO2 — CID 781607

IUPAC(3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
SMILESCOc1ccccc1[C@H]1CC(=O)c2c(ccc3ccccc23)N1
InChIInChI=1S/C20H17NO2/c1-23-19-9-5-4-8-15(19)17-12-18(22)20-14-7-3-2-6-13(14)10-11-16(20)21-17/h2-11,17,21H,12H2,1H3/t17-/m1/s1
InChIKeyUATAMXVFHRCWHJ-QGZVFWFLSA-N
MW303.36 g/mol
LogP4.59
Rot. Bonds2

About (3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one

(3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one (PubChem CID 781607) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one.

Molecular Properties

Compound Name(3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
PubChem CID781607
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
SMILESCOc1ccccc1[C@H]1CC(=O)c2c(ccc3ccccc23)N1
InChIInChI=1S/C20H17NO2/c1-23-19-9-5-4-8-15(19)17-12-18(22)20-14-7-3-2-6-13(14)10-11-16(20)21-17/h2-11,17,21H,12H2,1H3/t17-/m1/s1
InChIKeyUATAMXVFHRCWHJ-QGZVFWFLSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one?
The IUPAC name of (3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one (CID 781607) is (3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one.
What is the SMILES notation for (3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one?
The canonical SMILES for (3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one is COc1ccccc1[C@H]1CC(=O)c2c(ccc3ccccc23)N1.
What is the InChIKey of (3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one?
The InChIKey is UATAMXVFHRCWHJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H17NO2/c1-23-19-9-5-4-8-15(19)17-12-18(22)20-14-7-3-2-6-13(14)10-11-16(20)21-17/h2-11,17,21H,12H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one?
(3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one has a molecular weight of 303.36 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one is sourced from PubChem (CID 781607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).