methyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate

C21H21N3O3 — CID 88925667

IUPACmethyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate
SMILESCOC(=O)c1cc(C2CC2)c2c(C)c(-c3ccc(N)nc3)c(C)cn2c1=O
InChIInChI=1S/C21H21N3O3/c1-11-10-24-19(12(2)18(11)14-6-7-17(22)23-9-14)15(13-4-5-13)8-16(20(24)25)21(26)27-3/h6-10,13H,4-5H2,1-3H3,(H2,22,23)
InChIKeyLVMLLZJTGWPLHC-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.22
Rot. Bonds3

About methyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate

methyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate (PubChem CID 88925667) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate
PubChem CID88925667
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Namemethyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate
SMILESCOC(=O)c1cc(C2CC2)c2c(C)c(-c3ccc(N)nc3)c(C)cn2c1=O
InChIInChI=1S/C21H21N3O3/c1-11-10-24-19(12(2)18(11)14-6-7-17(22)23-9-14)15(13-4-5-13)8-16(20(24)25)21(26)27-3/h6-10,13H,4-5H2,1-3H3,(H2,22,23)
InChIKeyLVMLLZJTGWPLHC-UHFFFAOYSA-N
XLogP3.22
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate?
The IUPAC name of methyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate (CID 88925667) is methyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for methyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for methyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate is COC(=O)c1cc(C2CC2)c2c(C)c(-c3ccc(N)nc3)c(C)cn2c1=O.
What is the InChIKey of methyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate?
The InChIKey is LVMLLZJTGWPLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-11-10-24-19(12(2)18(11)14-6-7-17(22)23-9-14)15(13-4-5-13)8-16(20(24)25)21(26)27-3/h6-10,13H,4-5H2,1-3H3,(H2,22,23).
What are the key properties of methyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate?
methyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate has a molecular weight of 363.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 88925667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).