6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one

C20H21BrN2O — CID 3564394

IUPAC6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccc(Br)cc2C(c2ccccc2)C1N1CCCCC1
InChIInChI=1S/C20H21BrN2O/c21-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20(24)22-17)23-11-5-2-6-12-23/h1,3-4,7-10,13,18-19H,2,5-6,11-12H2,(H,22,24)
InChIKeyOFTBNUXVIVMQLV-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.39
Rot. Bonds2

About 6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one

6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3564394) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is 6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID3564394
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC Name6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccc(Br)cc2C(c2ccccc2)C1N1CCCCC1
InChIInChI=1S/C20H21BrN2O/c21-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20(24)22-17)23-11-5-2-6-12-23/h1,3-4,7-10,13,18-19H,2,5-6,11-12H2,(H,22,24)
InChIKeyOFTBNUXVIVMQLV-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one (CID 3564394) is 6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2ccc(Br)cc2C(c2ccccc2)C1N1CCCCC1.
What is the InChIKey of 6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OFTBNUXVIVMQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c21-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20(24)22-17)23-11-5-2-6-12-23/h1,3-4,7-10,13,18-19H,2,5-6,11-12H2,(H,22,24).
What are the key properties of 6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 385.31 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-phenyl-3-piperidin-1-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3564394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).