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

C20H18F2N2O3 — CID 139009064

IUPAC7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)N3CCOC(c4ccc(F)cc4)C3)c(F)cc2N1
InChIInChI=1S/C20H18F2N2O3/c21-14-4-1-12(2-5-14)18-11-24(7-8-27-18)20(26)15-9-13-3-6-19(25)23-17(13)10-16(15)22/h1-2,4-5,9-10,18H,3,6-8,11H2,(H,23,25)
InChIKeyDFUWHQPROPIUQS-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.06
Rot. Bonds2

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

7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 139009064) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is 7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID139009064
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC Name7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)N3CCOC(c4ccc(F)cc4)C3)c(F)cc2N1
InChIInChI=1S/C20H18F2N2O3/c21-14-4-1-12(2-5-14)18-11-24(7-8-27-18)20(26)15-9-13-3-6-19(25)23-17(13)10-16(15)22/h1-2,4-5,9-10,18H,3,6-8,11H2,(H,23,25)
InChIKeyDFUWHQPROPIUQS-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 139009096
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
CID 47913144
(3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid
CID 99718262
7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 136515924
3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 38374130
(4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 46579200
[2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 47023687
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
(3-aminopyrazin-2-yl)-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38374250
[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
CID 78950100

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 139009064) is 7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)N3CCOC(c4ccc(F)cc4)C3)c(F)cc2N1.
What is the InChIKey of 7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DFUWHQPROPIUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c21-14-4-1-12(2-5-14)18-11-24(7-8-27-18)20(26)15-9-13-3-6-19(25)23-17(13)10-16(15)22/h1-2,4-5,9-10,18H,3,6-8,11H2,(H,23,25).
What are the key properties of 7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 372.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 139009064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).