8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid

C15H16N2O3 — CID 39732432

IUPAC8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
SMILESCOc1cccc2c(N3CCCC3)c(C(=O)O)cnc12
InChIInChI=1S/C15H16N2O3/c1-20-12-6-4-5-10-13(12)16-9-11(15(18)19)14(10)17-7-2-3-8-17/h4-6,9H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyYRPFDWBGBDCTCD-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.54
Rot. Bonds3

About 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid

8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid (PubChem CID 39732432) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
PubChem CID39732432
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
SMILESCOc1cccc2c(N3CCCC3)c(C(=O)O)cnc12
InChIInChI=1S/C15H16N2O3/c1-20-12-6-4-5-10-13(12)16-9-11(15(18)19)14(10)17-7-2-3-8-17/h4-6,9H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyYRPFDWBGBDCTCD-UHFFFAOYSA-N
XLogP2.54
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid (CID 39732432) is 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid is COc1cccc2c(N3CCCC3)c(C(=O)O)cnc12.
What is the InChIKey of 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid?
The InChIKey is YRPFDWBGBDCTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-12-6-4-5-10-13(12)16-9-11(15(18)19)14(10)17-7-2-3-8-17/h4-6,9H,2-3,7-8H2,1H3,(H,18,19).
What are the key properties of 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid?
8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 39732432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).