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

C20H18N2O4 — CID 21104449

IUPAC1-cyclopropyl-8-(6-methoxy-3-pyridinyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCOc1ccc(-c2ccn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)cn1
InChIInChI=1S/C20H18N2O4/c1-11-14(13-5-6-17(26-2)21-10-13)7-8-22-18(11)15(12-3-4-12)9-16(19(22)23)20(24)25/h5-10,12H,3-4H2,1-2H3,(H,24,25)
InChIKeyMJDPLGQKHTTZKK-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.25
Rot. Bonds4

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

1-cyclopropyl-8-(6-methoxy-3-pyridinyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 21104449) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-cyclopropyl-8-(6-methoxy-3-pyridinyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-8-(6-methoxy-3-pyridinyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID21104449
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name1-cyclopropyl-8-(6-methoxy-3-pyridinyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCOc1ccc(-c2ccn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)cn1
InChIInChI=1S/C20H18N2O4/c1-11-14(13-5-6-17(26-2)21-10-13)7-8-22-18(11)15(12-3-4-12)9-16(19(22)23)20(24)25/h5-10,12H,3-4H2,1-2H3,(H,24,25)
InChIKeyMJDPLGQKHTTZKK-UHFFFAOYSA-N
XLogP3.25
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-(6-methoxy-3-pyridinyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-8-(6-methoxy-3-pyridinyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 21104449) is 1-cyclopropyl-8-(6-methoxy-3-pyridinyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-8-(6-methoxy-3-pyridinyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-8-(6-methoxy-3-pyridinyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid is COc1ccc(-c2ccn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)cn1.
What is the InChIKey of 1-cyclopropyl-8-(6-methoxy-3-pyridinyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is MJDPLGQKHTTZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-11-14(13-5-6-17(26-2)21-10-13)7-8-22-18(11)15(12-3-4-12)9-16(19(22)23)20(24)25/h5-10,12H,3-4H2,1-2H3,(H,24,25).
What are the key properties of 1-cyclopropyl-8-(6-methoxy-3-pyridinyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
1-cyclopropyl-8-(6-methoxy-3-pyridinyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 350.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-(6-methoxy-3-pyridinyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 21104449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).