7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one

C15H13BrN2O2 — CID 114940207

IUPAC7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCc3cncc(Br)c3)cc2N1
InChIInChI=1S/C15H13BrN2O2/c16-12-5-10(7-17-8-12)9-20-13-3-1-11-2-4-15(19)18-14(11)6-13/h1,3,5-8H,2,4,9H2,(H,18,19)
InChIKeyMZXFJOOMTPKRDN-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.31
Rot. Bonds3

About 7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one

7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 114940207) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID114940207
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCc3cncc(Br)c3)cc2N1
InChIInChI=1S/C15H13BrN2O2/c16-12-5-10(7-17-8-12)9-20-13-3-1-11-2-4-15(19)18-14(11)6-13/h1,3,5-8H,2,4,9H2,(H,18,19)
InChIKeyMZXFJOOMTPKRDN-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-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

Related Compounds

7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114939999
7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940155
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile
CID 114940048
7-(2-pyridin-4-ylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940079
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 54296306
7-[(3-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940176
7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
CID 66885925
tert-butyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoate
CID 68588682
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015

Frequently Asked Questions

What is the IUPAC name of 7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 114940207) is 7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCc3cncc(Br)c3)cc2N1.
What is the InChIKey of 7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MZXFJOOMTPKRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-12-5-10(7-17-8-12)9-20-13-3-1-11-2-4-15(19)18-14(11)6-13/h1,3,5-8H,2,4,9H2,(H,18,19).
What are the key properties of 7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 333.19 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 114940207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).