3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid

C15H17NO3 — CID 139695348

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(C(=O)N2CCCc3ccccc32)C1
InChIInChI=1S/C15H17NO3/c17-14(11-8-12(9-11)15(18)19)16-7-3-5-10-4-1-2-6-13(10)16/h1-2,4,6,11-12H,3,5,7-9H2,(H,18,19)
InChIKeyMSTIPHRLCWVEHQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.08
Rot. Bonds2

About 3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid

3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 139695348) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID139695348
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(C(=O)N2CCCc3ccccc32)C1
InChIInChI=1S/C15H17NO3/c17-14(11-8-12(9-11)15(18)19)16-7-3-5-10-4-1-2-6-13(10)16/h1-2,4,6,11-12H,3,5,7-9H2,(H,18,19)
InChIKeyMSTIPHRLCWVEHQ-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897
(1R,6S)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 1225798
(1S,2R,3S,4R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100810787
(1R,2S,3S,4S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 40555350
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
3,4-dihydro-2H-quinolin-1-yl(oxan-3-yl)methanone
CID 71879683
3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone
CID 110857121
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90604006
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 11921007
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 16590198

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid (CID 139695348) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid is O=C(O)C1CC(C(=O)N2CCCc3ccccc32)C1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is MSTIPHRLCWVEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(11-8-12(9-11)15(18)19)16-7-3-5-10-4-1-2-6-13(10)16/h1-2,4,6,11-12H,3,5,7-9H2,(H,18,19).
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 139695348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).