2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid

C14H16N2O4 — CID 3014634

IUPAC2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid
SMILESCCC(C(=O)O)n1c(=O)c2ccccc2n(CC)c1=O
InChIInChI=1S/C14H16N2O4/c1-3-10(13(18)19)16-12(17)9-7-5-6-8-11(9)15(4-2)14(16)20/h5-8,10H,3-4H2,1-2H3,(H,18,19)
InChIKeyFLHOKYWVOHINNR-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.22
Rot. Bonds4

About 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid

2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid (PubChem CID 3014634) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid
PubChem CID3014634
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid
SMILESCCC(C(=O)O)n1c(=O)c2ccccc2n(CC)c1=O
InChIInChI=1S/C14H16N2O4/c1-3-10(13(18)19)16-12(17)9-7-5-6-8-11(9)15(4-2)14(16)20/h5-8,10H,3-4H2,1-2H3,(H,18,19)
InChIKeyFLHOKYWVOHINNR-UHFFFAOYSA-N
XLogP1.22
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoic acid
CID 25193142
(2R)-2-[1-[(1,4-dimethylindazol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoic acid
CID 69097993
2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
CID 117426376
N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide
CID 42810860
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 51046709
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide
CID 51046763
methyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate
CID 172874952
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 51046705
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 51046736
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione
CID 51046744
9-ethylcarbazole-3-carboxylic acid
CID 4912869
1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one
CID 79395758

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid?
The IUPAC name of 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid (CID 3014634) is 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid.
What is the SMILES notation for 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid?
The canonical SMILES for 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid is CCC(C(=O)O)n1c(=O)c2ccccc2n(CC)c1=O.
What is the InChIKey of 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid?
The InChIKey is FLHOKYWVOHINNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-10(13(18)19)16-12(17)9-7-5-6-8-11(9)15(4-2)14(16)20/h5-8,10H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid?
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid is sourced from PubChem (CID 3014634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).