2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid

C16H20N2O3 — CID 102711309

IUPAC2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC(=O)N2CCN1CCCC1
InChIInChI=1S/C16H20N2O3/c19-15-6-4-12-11-13(16(20)21)3-5-14(12)18(15)10-9-17-7-1-2-8-17/h3,5,11H,1-2,4,6-10H2,(H,20,21)
InChIKeyUZUKINQOIBAWGY-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.76
Rot. Bonds4

About 2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid

2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid (PubChem CID 102711309) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid
PubChem CID102711309
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC(=O)N2CCN1CCCC1
InChIInChI=1S/C16H20N2O3/c19-15-6-4-12-11-13(16(20)21)3-5-14(12)18(15)10-9-17-7-1-2-8-17/h3,5,11H,1-2,4,6-10H2,(H,20,21)
InChIKeyUZUKINQOIBAWGY-UHFFFAOYSA-N
XLogP1.76
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711321
1-(4-cyanobutyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711347
1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711328
1-hexyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711273
1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711326
2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 102711258
3-oxo-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylic acid
CID 82057944
1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711329
1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711268
1-benzyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 53135752
7-methoxy-1-(2-piperidin-1-ylethyl)-3,4-dihydroquinolin-2-one
CID 141163160
1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
CID 141389881

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid?
The IUPAC name of 2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid (CID 102711309) is 2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid?
The canonical SMILES for 2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid is O=C(O)c1ccc2c(c1)CCC(=O)N2CCN1CCCC1.
What is the InChIKey of 2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid?
The InChIKey is UZUKINQOIBAWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15-6-4-12-11-13(16(20)21)3-5-14(12)18(15)10-9-17-7-1-2-8-17/h3,5,11H,1-2,4,6-10H2,(H,20,21).
What are the key properties of 2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid?
2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid is sourced from PubChem (CID 102711309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).