8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid

C20H19N3O3 — CID 88925546

IUPAC8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1cc(-c2ccn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)cnc1N
InChIInChI=1S/C20H19N3O3/c1-10-7-13(9-22-18(10)21)14-5-6-23-17(11(14)2)15(12-3-4-12)8-16(19(23)24)20(25)26/h5-9,12H,3-4H2,1-2H3,(H2,21,22)(H,25,26)
InChIKeyUTFUZFDTONBKPW-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.14
Rot. Bonds3

About 8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid

8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 88925546) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID88925546
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1cc(-c2ccn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)cnc1N
InChIInChI=1S/C20H19N3O3/c1-10-7-13(9-22-18(10)21)14-5-6-23-17(11(14)2)15(12-3-4-12)8-16(19(23)24)20(25)26/h5-9,12H,3-4H2,1-2H3,(H2,21,22)(H,25,26)
InChIKeyUTFUZFDTONBKPW-UHFFFAOYSA-N
XLogP3.14
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 88925546) is 8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid is Cc1cc(-c2ccn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)cnc1N.
What is the InChIKey of 8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is UTFUZFDTONBKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-10-7-13(9-22-18(10)21)14-5-6-23-17(11(14)2)15(12-3-4-12)8-16(19(23)24)20(25)26/h5-9,12H,3-4H2,1-2H3,(H2,21,22)(H,25,26).
What are the key properties of 8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid?
8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 88925546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).