2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid

C12H12N2O5 — CID 117262736

IUPAC2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
SMILESCOc1ccc2c(c1)c(=O)n(CC(=O)O)c(=O)n2C
InChIInChI=1S/C12H12N2O5/c1-13-9-4-3-7(19-2)5-8(9)11(17)14(12(13)18)6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyFECVESDGVDHRFF-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.21
Rot. Bonds3

About 2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid

2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid (PubChem CID 117262736) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
PubChem CID117262736
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
SMILESCOc1ccc2c(c1)c(=O)n(CC(=O)O)c(=O)n2C
InChIInChI=1S/C12H12N2O5/c1-13-9-4-3-7(19-2)5-8(9)11(17)14(12(13)18)6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyFECVESDGVDHRFF-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-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117263069
3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione
CID 117262435
2-[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]acetic acid
CID 70149214
6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione
CID 117262520
6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione
CID 117262554
6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
CID 117262456
(E)-4-[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]but-2-enoic acid
CID 10137103
3-benzyl-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10181036
N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide
CID 10112057
2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid
CID 67150911
2-[3-(cyanomethyl)-5-methoxyindol-1-yl]acetic acid
CID 125264524
N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide
CID 50830024

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid?
The IUPAC name of 2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid (CID 117262736) is 2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid?
The canonical SMILES for 2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid is COc1ccc2c(c1)c(=O)n(CC(=O)O)c(=O)n2C.
What is the InChIKey of 2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid?
The InChIKey is FECVESDGVDHRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-13-9-4-3-7(19-2)5-8(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-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid?
2-(6-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-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid is sourced from PubChem (CID 117262736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).