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

C19H14ClNO — CID 45035436

IUPAC3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
SMILESO=C1CC(c2cccc(Cl)c2)Nc2ccc3ccccc3c21
InChIInChI=1S/C19H14ClNO/c20-14-6-3-5-13(10-14)17-11-18(22)19-15-7-2-1-4-12(15)8-9-16(19)21-17/h1-10,17,21H,11H2
InChIKeyNNUAXAQRZVBLGN-UHFFFAOYSA-N
MW307.78 g/mol
LogP5.23
Rot. Bonds1

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

3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one (PubChem CID 45035436) has the molecular formula C19H14ClNO and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
PubChem CID45035436
Molecular FormulaC19H14ClNO
Molecular Weight307.78 g/mol
Exact Mass307.08
IUPAC Name3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
SMILESO=C1CC(c2cccc(Cl)c2)Nc2ccc3ccccc3c21
InChIInChI=1S/C19H14ClNO/c20-14-6-3-5-13(10-14)17-11-18(22)19-15-7-2-1-4-12(15)8-9-16(19)21-17/h1-10,17,21H,11H2
InChIKeyNNUAXAQRZVBLGN-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.78
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one?
The IUPAC name of 3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one (CID 45035436) is 3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one is O=C1CC(c2cccc(Cl)c2)Nc2ccc3ccccc3c21.
What is the InChIKey of 3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one?
The InChIKey is NNUAXAQRZVBLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO/c20-14-6-3-5-13(10-14)17-11-18(22)19-15-7-2-1-4-12(15)8-9-16(19)21-17/h1-10,17,21H,11H2.
What are the key properties of 3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one?
3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one has a molecular weight of 307.78 g/mol, XLogP of 5.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one is sourced from PubChem (CID 45035436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).