(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone

C14H11F2NO2 — CID 39139403

IUPAC(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCc2cc(F)c(F)cc21
InChIInChI=1S/C14H11F2NO2/c15-11-6-9-2-1-4-17(13(9)7-12(11)16)14(18)10-3-5-19-8-10/h3,5-8H,1-2,4H2
InChIKeyXNRACVKYZDETAD-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.15
Rot. Bonds1

About (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone

(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone (PubChem CID 39139403) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone.

Molecular Properties

Compound Name(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
PubChem CID39139403
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCc2cc(F)c(F)cc21
InChIInChI=1S/C14H11F2NO2/c15-11-6-9-2-1-4-17(13(9)7-12(11)16)14(18)10-3-5-19-8-10/h3,5-8H,1-2,4H2
InChIKeyXNRACVKYZDETAD-UHFFFAOYSA-N
XLogP3.15
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 82704663
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone
CID 83213262
(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 39139703
(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 51113851
(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxolan-3-yl)methanone
CID 128950679
1-(7-fluoro-6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 132513887
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
1-(2-bromofuran-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 106850894
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
3,4-dihydro-2H-quinolin-1-yl-(4-fluoro-3-sulfanylphenyl)methanone
CID 107021556
(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 154832079
[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 98672598

Frequently Asked Questions

What is the IUPAC name of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone?
The IUPAC name of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone (CID 39139403) is (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone.
What is the SMILES notation for (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone?
The canonical SMILES for (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCCc2cc(F)c(F)cc21.
What is the InChIKey of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone?
The InChIKey is XNRACVKYZDETAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-11-6-9-2-1-4-17(13(9)7-12(11)16)14(18)10-3-5-19-8-10/h3,5-8H,1-2,4H2.
What are the key properties of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone?
(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone has a molecular weight of 263.24 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone is sourced from PubChem (CID 39139403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).