1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one

C15H19BrN2O2 — CID 21273627

IUPAC1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one
SMILESCC1(C)Nc2ccc(Br)cc2C(N2CCCC2=O)C1O
InChIInChI=1S/C15H19BrN2O2/c1-15(2)14(20)13(18-7-3-4-12(18)19)10-8-9(16)5-6-11(10)17-15/h5-6,8,13-14,17,20H,3-4,7H2,1-2H3
InChIKeyBMAJSOPEOTXZQF-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.68
Rot. Bonds1

About 1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one

1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one (PubChem CID 21273627) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one
PubChem CID21273627
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one
SMILESCC1(C)Nc2ccc(Br)cc2C(N2CCCC2=O)C1O
InChIInChI=1S/C15H19BrN2O2/c1-15(2)14(20)13(18-7-3-4-12(18)19)10-8-9(16)5-6-11(10)17-15/h5-6,8,13-14,17,20H,3-4,7H2,1-2H3
InChIKeyBMAJSOPEOTXZQF-UHFFFAOYSA-N
XLogP2.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one (CID 21273627) is 1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one is CC1(C)Nc2ccc(Br)cc2C(N2CCCC2=O)C1O.
What is the InChIKey of 1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one?
The InChIKey is BMAJSOPEOTXZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-15(2)14(20)13(18-7-3-4-12(18)19)10-8-9(16)5-6-11(10)17-15/h5-6,8,13-14,17,20H,3-4,7H2,1-2H3.
What are the key properties of 1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one?
1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one has a molecular weight of 339.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 21273627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).