3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one

C21H19FN2O2 — CID 39851032

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one
SMILESCCn1cc(C(=O)N2CCCc3ccccc32)c(=O)c2cc(F)ccc21
InChIInChI=1S/C21H19FN2O2/c1-2-23-13-17(20(25)16-12-15(22)9-10-19(16)23)21(26)24-11-5-7-14-6-3-4-8-18(14)24/h3-4,6,8-10,12-13H,2,5,7,11H2,1H3
InChIKeyDWEXCDUKHSHETN-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.75
Rot. Bonds2

About 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one (PubChem CID 39851032) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one
PubChem CID39851032
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one
SMILESCCn1cc(C(=O)N2CCCc3ccccc32)c(=O)c2cc(F)ccc21
InChIInChI=1S/C21H19FN2O2/c1-2-23-13-17(20(25)16-12-15(22)9-10-19(16)23)21(26)24-11-5-7-14-6-3-4-8-18(14)24/h3-4,6,8-10,12-13H,2,5,7,11H2,1H3
InChIKeyDWEXCDUKHSHETN-UHFFFAOYSA-N
XLogP3.75
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one
CID 39851482
3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide
CID 126457207
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 47168679
8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one
CID 43831927
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
(4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 62490914
1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
CID 39850828
1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid
CID 141078293
7-(1,3-dihydroisoindol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 14795805
6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-3-(piperidine-1-carbonyl)quinolin-4-one
CID 20859389
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one (CID 39851032) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one is CCn1cc(C(=O)N2CCCc3ccccc32)c(=O)c2cc(F)ccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one?
The InChIKey is DWEXCDUKHSHETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-2-23-13-17(20(25)16-12-15(22)9-10-19(16)23)21(26)24-11-5-7-14-6-3-4-8-18(14)24/h3-4,6,8-10,12-13H,2,5,7,11H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one has a molecular weight of 350.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one is sourced from PubChem (CID 39851032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).