4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid

C14H15N3O3 — CID 67917706

IUPAC4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid
SMILESNC1CCCN1c1c(C(=O)O)c(=O)[nH]c2ccccc12
InChIInChI=1S/C14H15N3O3/c15-10-6-3-7-17(10)12-8-4-1-2-5-9(8)16-13(18)11(12)14(19)20/h1-2,4-5,10H,3,6-7,15H2,(H,16,18)(H,19,20)
InChIKeyQBNYRBCQRPVCAI-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.11
Rot. Bonds2

About 4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid

4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 67917706) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID67917706
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid
SMILESNC1CCCN1c1c(C(=O)O)c(=O)[nH]c2ccccc12
InChIInChI=1S/C14H15N3O3/c15-10-6-3-7-17(10)12-8-4-1-2-5-9(8)16-13(18)11(12)14(19)20/h1-2,4-5,10H,3,6-7,15H2,(H,16,18)(H,19,20)
InChIKeyQBNYRBCQRPVCAI-UHFFFAOYSA-N
XLogP1.11
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid (CID 67917706) is 4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid is NC1CCCN1c1c(C(=O)O)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is QBNYRBCQRPVCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-10-6-3-7-17(10)12-8-4-1-2-5-9(8)16-13(18)11(12)14(19)20/h1-2,4-5,10H,3,6-7,15H2,(H,16,18)(H,19,20).
What are the key properties of 4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid?
4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrrolidin-1-yl)-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 67917706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).