6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

C24H33N3O4 — CID 67100081

IUPAC6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCCC1CCC(CC)(CNC)N1c1c(C2CC2)cc2c(=O)c(C(=O)O)c[nH]c2c1OC
InChIInChI=1S/C24H33N3O4/c1-5-15-9-10-24(6-2,13-25-3)27(15)20-16(14-7-8-14)11-17-19(22(20)31-4)26-12-18(21(17)28)23(29)30/h11-12,14-15,25H,5-10,13H2,1-4H3,(H,26,28)(H,29,30)
InChIKeyFZVBSYZSYHZGAV-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.86
Rot. Bonds8

About 6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 67100081) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID67100081
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCCC1CCC(CC)(CNC)N1c1c(C2CC2)cc2c(=O)c(C(=O)O)c[nH]c2c1OC
InChIInChI=1S/C24H33N3O4/c1-5-15-9-10-24(6-2,13-25-3)27(15)20-16(14-7-8-14)11-17-19(22(20)31-4)26-12-18(21(17)28)23(29)30/h11-12,14-15,25H,5-10,13H2,1-4H3,(H,26,28)(H,29,30)
InChIKeyFZVBSYZSYHZGAV-UHFFFAOYSA-N
XLogP3.86
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid (CID 67100081) is 6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid is CCC1CCC(CC)(CNC)N1c1c(C2CC2)cc2c(=O)c(C(=O)O)c[nH]c2c1OC.
What is the InChIKey of 6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is FZVBSYZSYHZGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-5-15-9-10-24(6-2,13-25-3)27(15)20-16(14-7-8-14)11-17-19(22(20)31-4)26-12-18(21(17)28)23(29)30/h11-12,14-15,25H,5-10,13H2,1-4H3,(H,26,28)(H,29,30).
What are the key properties of 6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 427.55 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 67100081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).