3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione

C14H12N2O4 — CID 117261447

IUPAC3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(Cc3ccco3)c(=O)c2c1
InChIInChI=1S/C14H12N2O4/c1-19-9-4-5-12-11(7-9)13(17)16(14(18)15-12)8-10-3-2-6-20-10/h2-7H,8H2,1H3,(H,15,18)
InChIKeyGYKUUCZVPRPDOK-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.34
Rot. Bonds3

About 3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione

3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione (PubChem CID 117261447) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione
PubChem CID117261447
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(Cc3ccco3)c(=O)c2c1
InChIInChI=1S/C14H12N2O4/c1-19-9-4-5-12-11(7-9)13(17)16(14(18)15-12)8-10-3-2-6-20-10/h2-7H,8H2,1H3,(H,15,18)
InChIKeyGYKUUCZVPRPDOK-UHFFFAOYSA-N
XLogP1.34
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261441
3-(furan-2-ylmethyl)-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one
CID 866383
N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15995150
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 56771696
6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262552
6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione
CID 118869707
1'-(furan-2-ylmethyl)-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 162661075
1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137045248
butan-1-amine;3-butyl-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 158897093
6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione
CID 117261301
CID 58223223
CID 58223223

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione (CID 117261447) is 3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione is COc1ccc2[nH]c(=O)n(Cc3ccco3)c(=O)c2c1.
What is the InChIKey of 3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione?
The InChIKey is GYKUUCZVPRPDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-19-9-4-5-12-11(7-9)13(17)16(14(18)15-12)8-10-3-2-6-20-10/h2-7H,8H2,1H3,(H,15,18).
What are the key properties of 3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione?
3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione has a molecular weight of 272.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).