6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C20H18BrFN2O3 — CID 139009096

IUPAC6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)N3CCOC(c4ccccc4Br)C3)c(F)cc2N1
InChIInChI=1S/C20H18BrFN2O3/c21-15-4-2-1-3-13(15)18-11-24(7-8-27-18)20(26)14-9-12-5-6-19(25)23-17(12)10-16(14)22/h1-4,9-10,18H,5-8,11H2,(H,23,25)
InChIKeyFWQPWPDHXTTWNS-UHFFFAOYSA-N
MW433.28 g/mol
LogP3.69
Rot. Bonds2

About 6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 139009096) has the molecular formula C20H18BrFN2O3 and a molecular weight of 433.28 g/mol. Its IUPAC name is 6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID139009096
Molecular FormulaC20H18BrFN2O3
Molecular Weight433.28 g/mol
Exact Mass432.05
IUPAC Name6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)N3CCOC(c4ccccc4Br)C3)c(F)cc2N1
InChIInChI=1S/C20H18BrFN2O3/c21-15-4-2-1-3-13(15)18-11-24(7-8-27-18)20(26)14-9-12-5-6-19(25)23-17(12)10-16(14)22/h1-4,9-10,18H,5-8,11H2,(H,23,25)
InChIKeyFWQPWPDHXTTWNS-UHFFFAOYSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 139009064
7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 136515924
[(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone
CID 124571786
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
[(2R)-2-(2-bromophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124571795
4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one
CID 136532193
7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457544
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
3-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95174394
(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one
CID 124591971
7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457547

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 139009096) is 6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)N3CCOC(c4ccccc4Br)C3)c(F)cc2N1.
What is the InChIKey of 6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FWQPWPDHXTTWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN2O3/c21-15-4-2-1-3-13(15)18-11-24(7-8-27-18)20(26)14-9-12-5-6-19(25)23-17(12)10-16(14)22/h1-4,9-10,18H,5-8,11H2,(H,23,25).
What are the key properties of 6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 433.28 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 139009096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).