7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid

C15H18FNO4 — CID 83763781

IUPAC7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)O)c2ccc(F)cc21
InChIInChI=1S/C15H18FNO4/c1-15(2,3)21-14(20)17-7-6-11(13(18)19)10-5-4-9(16)8-12(10)17/h4-5,8,11H,6-7H2,1-3H3,(H,18,19)
InChIKeyYGVNEEPEKJFESH-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.14
Rot. Bonds1

About 7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid

7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 83763781) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID83763781
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)O)c2ccc(F)cc21
InChIInChI=1S/C15H18FNO4/c1-15(2,3)21-14(20)17-7-6-11(13(18)19)10-5-4-9(16)8-12(10)17/h4-5,8,11H,6-7H2,1-3H3,(H,18,19)
InChIKeyYGVNEEPEKJFESH-UHFFFAOYSA-N
XLogP3.14
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid with MolForge

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Related Compounds

7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83764036
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 155571856
1-O-tert-butyl 4-O-methyl 7-chloro-6-fluoro-3,4-dihydro-2H-quinoline-1,4-dicarboxylate
CID 170903339
6-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 57367955
3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 59830093
tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
CID 118337502
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
tert-butyl 4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118483512
tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
CID 113079908
(2R)-5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
CID 175870480
tert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 146150613

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid (CID 83763781) is 7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(C(=O)O)c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is YGVNEEPEKJFESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-15(2,3)21-14(20)17-7-6-11(13(18)19)10-5-4-9(16)8-12(10)17/h4-5,8,11H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 83763781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).