4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate

C20H18FN2O4- — CID 7279097

IUPAC4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O4/c21-15-5-3-13(4-6-15)20(27)23-11-1-2-14-12-16(7-8-17(14)23)22-18(24)9-10-19(25)26/h3-8,12H,1-2,9-11H2,(H,22,24)(H,25,26)/p-1
InChIKeyZFYBGHLQXOVOEG-UHFFFAOYSA-M
MW369.37 g/mol
LogP1.89
Rot. Bonds5

About 4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate

4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate (PubChem CID 7279097) has the molecular formula C20H18FN2O4- and a molecular weight of 369.37 g/mol. Its IUPAC name is 4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Name4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate
PubChem CID7279097
Molecular FormulaC20H18FN2O4-
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O4/c21-15-5-3-13(4-6-15)20(27)23-11-1-2-14-12-16(7-8-17(14)23)22-18(24)9-10-19(25)26/h3-8,12H,1-2,9-11H2,(H,22,24)(H,25,26)/p-1
InChIKeyZFYBGHLQXOVOEG-UHFFFAOYSA-M
XLogP1.89
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate with MolForge

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 939823
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
CID 110623188
4-fluoro-N-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzenesulfonamide
CID 37332333
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide
CID 110303769
N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248111
N-tert-butyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248086
1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248081
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 47026550
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16834722
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-fluorobenzamide
CID 27557625

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate?
The IUPAC name of 4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate (CID 7279097) is 4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate.
What is the SMILES notation for 4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate?
The canonical SMILES for 4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate is O=C([O-])CCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate?
The InChIKey is ZFYBGHLQXOVOEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19FN2O4/c21-15-5-3-13(4-6-15)20(27)23-11-1-2-14-12-16(7-8-17(14)23)22-18(24)9-10-19(25)26/h3-8,12H,1-2,9-11H2,(H,22,24)(H,25,26)/p-1.
What are the key properties of 4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate?
4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate has a molecular weight of 369.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 7279097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).