2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid

C15H16N2O4S — CID 139462161

IUPAC2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid
SMILESCOc1nc2c(s1)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C15H16N2O4S/c1-7(2)9-5-12-13(16-15(21-3)22-12)10-4-11(18)8(14(19)20)6-17(9)10/h4,6-7,9H,5H2,1-3H3,(H,19,20)
InChIKeyYXXRWXVOWUZZMB-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.43
Rot. Bonds3

About 2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid

2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid (PubChem CID 139462161) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid
PubChem CID139462161
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid
SMILESCOc1nc2c(s1)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C15H16N2O4S/c1-7(2)9-5-12-13(16-15(21-3)22-12)10-4-11(18)8(14(19)20)6-17(9)10/h4,6-7,9H,5H2,1-3H3,(H,19,20)
InChIKeyYXXRWXVOWUZZMB-UHFFFAOYSA-N
XLogP2.43
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251739
9-bromo-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 146535093
(6S)-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
CID 139462206
2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
CID 139462144
2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid
CID 138524484
4-chloro-5-methoxy-14-oxo-10-propan-2-yl-8-oxa-6,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid
CID 139462293
(10R)-4-chloro-5-(2-methylpropoxy)-14-oxo-10-propan-2-yl-8-oxa-3,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid
CID 139462185
10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 155675837
(6S)-9-[2-(4-carboxyphenyl)ethoxy]-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 170602223
(6R)-10-methoxy-9-(4-methoxybutyl)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 134425727
10-(2-amino-1,3-thiazol-4-yl)-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 138672498
9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 175080938

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid?
The IUPAC name of 2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid (CID 139462161) is 2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid.
What is the SMILES notation for 2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid?
The canonical SMILES for 2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid is COc1nc2c(s1)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2.
What is the InChIKey of 2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid?
The InChIKey is YXXRWXVOWUZZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-7(2)9-5-12-13(16-15(21-3)22-12)10-4-11(18)8(14(19)20)6-17(9)10/h4,6-7,9H,5H2,1-3H3,(H,19,20).
What are the key properties of 2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid?
2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid is sourced from PubChem (CID 139462161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).