3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid

C14H18N2O2 — CID 67493051

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCCc3ccccc32)C1
InChIInChI=1S/C14H18N2O2/c17-14(18)15-9-7-12(10-15)16-8-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,12H,3,5,7-10H2,(H,17,18)
InChIKeyILFIHSFJCWSELX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.19
Rot. Bonds1

About 3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid

3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid (PubChem CID 67493051) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
PubChem CID67493051
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCCc3ccccc32)C1
InChIInChI=1S/C14H18N2O2/c17-14(18)15-9-7-12(10-15)16-8-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,12H,3,5,7-10H2,(H,17,18)
InChIKeyILFIHSFJCWSELX-UHFFFAOYSA-N
XLogP2.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid
CID 63068563
N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140123
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 23140532
1-(1-propan-2-ylpiperidin-4-yl)-3,4-dihydro-2H-quinoline
CID 23570249
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
CID 23139882
N-(3-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140704
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 159850532
3-(3,4-dihydro-2H-quinolin-1-yl)cyclopentan-1-amine
CID 79464524
1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone
CID 154143792
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 170439553

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid (CID 67493051) is 3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(N2CCCc3ccccc32)C1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is ILFIHSFJCWSELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(18)15-9-7-12(10-15)16-8-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,12H,3,5,7-10H2,(H,17,18).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid?
3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.19, 1 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-quinolin-1-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67493051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).