2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid

C12H12N2O5 — CID 117263069

IUPAC2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
SMILESCOc1ccc2c(=O)n(CC(=O)O)c(=O)n(C)c2c1
InChIInChI=1S/C12H12N2O5/c1-13-9-5-7(19-2)3-4-8(9)11(17)14(12(13)18)6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyXADVYKBKSSVYLO-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.21
Rot. Bonds3

About 2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid

2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid (PubChem CID 117263069) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
PubChem CID117263069
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
SMILESCOc1ccc2c(=O)n(CC(=O)O)c(=O)n(C)c2c1
InChIInChI=1S/C12H12N2O5/c1-13-9-5-7(19-2)3-4-8(9)11(17)14(12(13)18)6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyXADVYKBKSSVYLO-UHFFFAOYSA-N
XLogP-0.21
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736
2-[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]acetic acid
CID 70149214
3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione
CID 117262435
7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
CID 82243051
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one
CID 84626906
7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923350
6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione
CID 117262520
3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
CID 91254141
2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid
CID 23627235

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid?
The IUPAC name of 2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid (CID 117263069) is 2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid?
The canonical SMILES for 2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid is COc1ccc2c(=O)n(CC(=O)O)c(=O)n(C)c2c1.
What is the InChIKey of 2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid?
The InChIKey is XADVYKBKSSVYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-13-9-5-7(19-2)3-4-8(9)11(17)14(12(13)18)6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid?
2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid has a molecular weight of 264.24 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid is sourced from PubChem (CID 117263069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).