3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid

C13H14N2O5 — CID 117263418

IUPAC3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid
SMILESCOc1cccc2c(=O)n(CCC(=O)O)c(=O)n(C)c12
InChIInChI=1S/C13H14N2O5/c1-14-11-8(4-3-5-9(11)20-2)12(18)15(13(14)19)7-6-10(16)17/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyPCLBOCBUNOEGDO-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.18
Rot. Bonds4

About 3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid

3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid (PubChem CID 117263418) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid
PubChem CID117263418
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid
SMILESCOc1cccc2c(=O)n(CCC(=O)O)c(=O)n(C)c12
InChIInChI=1S/C13H14N2O5/c1-14-11-8(4-3-5-9(11)20-2)12(18)15(13(14)19)7-6-10(16)17/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyPCLBOCBUNOEGDO-UHFFFAOYSA-N
XLogP0.18
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid
CID 82498482
3-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-1-yl]propanoic acid
CID 18467708
3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099345
8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione
CID 117263377
3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid
CID 84741857
1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone
CID 115042358
8-methoxy-1-methyl-3-piperidin-3-ylquinazoline-2,4-dione
CID 117263164
4-(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
CID 102004284
3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione
CID 117263358
2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 67388041
2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid
CID 138658423
N-(2,3-dimethylphenyl)-3-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39765349

Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid?
The IUPAC name of 3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid (CID 117263418) is 3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid?
The canonical SMILES for 3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid is COc1cccc2c(=O)n(CCC(=O)O)c(=O)n(C)c12.
What is the InChIKey of 3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid?
The InChIKey is PCLBOCBUNOEGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-14-11-8(4-3-5-9(11)20-2)12(18)15(13(14)19)7-6-10(16)17/h3-5H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid?
3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid has a molecular weight of 278.26 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid is sourced from PubChem (CID 117263418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).