trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid

C14H14FNO3 — CID 125119924

IUPACtrans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1C(=O)N1CCCc2cc(F)ccc21
InChIInChI=1S/C14H14FNO3/c15-9-3-4-12-8(6-9)2-1-5-16(12)13(17)10-7-11(10)14(18)19/h3-4,6,10-11H,1-2,5,7H2,(H,18,19)/t10-,11-/m0/s1
InChIKeyWCVSFXPAGHCREO-QWRGUYRKSA-N
MW263.27 g/mol
LogP1.83
Rot. Bonds2

About trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 125119924) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID125119924
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Nametrans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1C(=O)N1CCCc2cc(F)ccc21
InChIInChI=1S/C14H14FNO3/c15-9-3-4-12-8(6-9)2-1-5-16(12)13(17)10-7-11(10)14(18)19/h3-4,6,10-11H,1-2,5,7H2,(H,18,19)/t10-,11-/m0/s1
InChIKeyWCVSFXPAGHCREO-QWRGUYRKSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974954
1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
CID 110742319
N-cyclopentyl-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747475
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 109141427
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976101
7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220426
1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 63714163
(1R,6S)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 1225798
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 47168679

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid (CID 125119924) is trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@@H]1C(=O)N1CCCc2cc(F)ccc21.
What is the InChIKey of trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is WCVSFXPAGHCREO-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H14FNO3/c15-9-3-4-12-8(6-9)2-1-5-16(12)13(17)10-7-11(10)14(18)19/h3-4,6,10-11H,1-2,5,7H2,(H,18,19)/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 125119924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).