1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

C17H23NO3 — CID 65162308

IUPAC1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2CCCC1CCCO1
InChIInChI=1S/C17H23NO3/c19-17(20)15-7-1-9-16-14(15)8-3-11-18(16)10-2-5-13-6-4-12-21-13/h1,7,9,13H,2-6,8,10-12H2,(H,19,20)
InChIKeyOWLSCQZNEURKDP-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.10
Rot. Bonds5

About 1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 65162308) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID65162308
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2CCCC1CCCO1
InChIInChI=1S/C17H23NO3/c19-17(20)15-7-1-9-16-14(15)8-3-11-18(16)10-2-5-13-6-4-12-21-13/h1,7,9,13H,2-6,8,10-12H2,(H,19,20)
InChIKeyOWLSCQZNEURKDP-UHFFFAOYSA-N
XLogP3.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 65170568
1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 54926085
1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 106454610
1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 111495995
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 56828575
1-(2-bromoprop-2-enyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60873220
1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid
CID 65162534
1-[(E)-but-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60840478
3-methyl-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65158626
1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine
CID 114456562
2-methyl-3-[2-(oxolan-2-yl)ethylsulfonyl]benzoic acid
CID 81444904
1-[3-(oxolan-2-yl)propyl]indole-2,3-dione
CID 65162625

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 65162308) is 1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid is O=C(O)c1cccc2c1CCCN2CCCC1CCCO1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is OWLSCQZNEURKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-17(20)15-7-1-9-16-14(15)8-3-11-18(16)10-2-5-13-6-4-12-21-13/h1,7,9,13H,2-6,8,10-12H2,(H,19,20).
What are the key properties of 1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 65162308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).