1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

C15H20N2O3 — CID 60840475

IUPAC1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCCCNC(=O)CN1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C15H20N2O3/c1-2-8-16-14(18)10-17-9-4-6-11-12(15(19)20)5-3-7-13(11)17/h3,5,7H,2,4,6,8-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyKKPYCIDLLKVFMD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.66
Rot. Bonds5

About 1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 60840475) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID60840475
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCCCNC(=O)CN1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C15H20N2O3/c1-2-8-16-14(18)10-17-9-4-6-11-12(15(19)20)5-3-7-13(11)17/h3,5,7H,2,4,6,8-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyKKPYCIDLLKVFMD-UHFFFAOYSA-N
XLogP1.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839961
1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 54926085
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 56828575
1-[2-(azetidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839962
1-(2-bromoprop-2-enyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60873220
1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78866067
1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 106454610
1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 80695916
1-[(E)-but-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60840478
1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 154740793
1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 167804837
1-[2-(4-chloroanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598332

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 60840475) is 1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid is CCCNC(=O)CN1CCCc2c(C(=O)O)cccc21.
What is the InChIKey of 1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is KKPYCIDLLKVFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-8-16-14(18)10-17-9-4-6-11-12(15(19)20)5-3-7-13(11)17/h3,5,7H,2,4,6,8-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 60840475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).