2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide

C13H16BrFN2O — CID 75447250

IUPAC2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCCc2c(F)cc(Br)cc21
InChIInChI=1S/C13H16BrFN2O/c1-16(2)13(18)8-17-5-3-4-10-11(15)6-9(14)7-12(10)17/h6-7H,3-5,8H2,1-2H3
InChIKeyBNRUXBQIULGXOV-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.43
Rot. Bonds2

About 2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide

2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide (PubChem CID 75447250) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide
PubChem CID75447250
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCCc2c(F)cc(Br)cc21
InChIInChI=1S/C13H16BrFN2O/c1-16(2)13(18)8-17-5-3-4-10-11(15)6-9(14)7-12(10)17/h6-7H,3-5,8H2,1-2H3
InChIKeyBNRUXBQIULGXOV-UHFFFAOYSA-N
XLogP2.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide (CID 75447250) is 2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)CN1CCCc2c(F)cc(Br)cc21.
What is the InChIKey of 2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide?
The InChIKey is BNRUXBQIULGXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-16(2)13(18)8-17-5-3-4-10-11(15)6-9(14)7-12(10)17/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide?
2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide has a molecular weight of 315.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 75447250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).