1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one

C20H21BrN2O — CID 58956839

IUPAC1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one
SMILESCc1cc(Br)c2c(c1)C(N1CCCC1=O)CC(c1ccccc1)N2
InChIInChI=1S/C20H21BrN2O/c1-13-10-15-18(23-9-5-8-19(23)24)12-17(14-6-3-2-4-7-14)22-20(15)16(21)11-13/h2-4,6-7,10-11,17-18,22H,5,8-9,12H2,1H3
InChIKeyOPNXDEHEAPBWJE-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.98
Rot. Bonds2

About 1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one

1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one (PubChem CID 58956839) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is 1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one
PubChem CID58956839
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC Name1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one
SMILESCc1cc(Br)c2c(c1)C(N1CCCC1=O)CC(c1ccccc1)N2
InChIInChI=1S/C20H21BrN2O/c1-13-10-15-18(23-9-5-8-19(23)24)12-17(14-6-3-2-4-7-14)22-20(15)16(21)11-13/h2-4,6-7,10-11,17-18,22H,5,8-9,12H2,1H3
InChIKeyOPNXDEHEAPBWJE-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one (CID 58956839) is 1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one is Cc1cc(Br)c2c(c1)C(N1CCCC1=O)CC(c1ccccc1)N2.
What is the InChIKey of 1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one?
The InChIKey is OPNXDEHEAPBWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c1-13-10-15-18(23-9-5-8-19(23)24)12-17(14-6-3-2-4-7-14)22-20(15)16(21)11-13/h2-4,6-7,10-11,17-18,22H,5,8-9,12H2,1H3.
What are the key properties of 1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one?
1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one has a molecular weight of 385.31 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 58956839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).