7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid

C15H17N3O3 — CID 54078426

IUPAC7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid
SMILESNCC1CCN(c2ccc3cc(C(=O)O)c(=O)[nH]c3c2)C1
InChIInChI=1S/C15H17N3O3/c16-7-9-3-4-18(8-9)11-2-1-10-5-12(15(20)21)14(19)17-13(10)6-11/h1-2,5-6,9H,3-4,7-8,16H2,(H,17,19)(H,20,21)
InChIKeyMLJBZCFQFLIEMD-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.01
Rot. Bonds3

About 7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid

7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 54078426) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID54078426
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid
SMILESNCC1CCN(c2ccc3cc(C(=O)O)c(=O)[nH]c3c2)C1
InChIInChI=1S/C15H17N3O3/c16-7-9-3-4-18(8-9)11-2-1-10-5-12(15(20)21)14(19)17-13(10)6-11/h1-2,5-6,9H,3-4,7-8,16H2,(H,17,19)(H,20,21)
InChIKeyMLJBZCFQFLIEMD-UHFFFAOYSA-N
XLogP1.01
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid (CID 54078426) is 7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid is NCC1CCN(c2ccc3cc(C(=O)O)c(=O)[nH]c3c2)C1.
What is the InChIKey of 7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is MLJBZCFQFLIEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-7-9-3-4-18(8-9)11-2-1-10-5-12(15(20)21)14(19)17-13(10)6-11/h1-2,5-6,9H,3-4,7-8,16H2,(H,17,19)(H,20,21).
What are the key properties of 7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid?
7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 54078426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).