2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid

C27H20N2O6 — CID 59814760

IUPAC2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c2cc(Oc3ccc(-c4ccccc4)cc3)ccc2n(Cc2ccco2)c1=O
InChIInChI=1S/C27H20N2O6/c30-25(31)17-29-26(32)23-15-21(12-13-24(23)28(27(29)33)16-22-7-4-14-34-22)35-20-10-8-19(9-11-20)18-5-2-1-3-6-18/h1-15H,16-17H2,(H,30,31)
InChIKeyLGUGAHLBYAPESH-UHFFFAOYSA-N
MW468.47 g/mol
LogP4.35
Rot. Bonds7

About 2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid

2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid (PubChem CID 59814760) has the molecular formula C27H20N2O6 and a molecular weight of 468.47 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid
PubChem CID59814760
Molecular FormulaC27H20N2O6
Molecular Weight468.47 g/mol
Exact Mass468.13
IUPAC Name2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c2cc(Oc3ccc(-c4ccccc4)cc3)ccc2n(Cc2ccco2)c1=O
InChIInChI=1S/C27H20N2O6/c30-25(31)17-29-26(32)23-15-21(12-13-24(23)28(27(29)33)16-22-7-4-14-34-22)35-20-10-8-19(9-11-20)18-5-2-1-3-6-18/h1-15H,16-17H2,(H,30,31)
InChIKeyLGUGAHLBYAPESH-UHFFFAOYSA-N
XLogP4.35
TPSA103.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-prop-2-enoxyquinazolin-3-yl]butanedioic acid
CID 59814794
2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 4614899
2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 6502140
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736
1-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 4618338
7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 3331192
3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 45498978
N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429609
2-(2-oxo-6-phenoxy-1,3-benzothiazol-3-yl)acetic acid
CID 13097111
3-(furan-2-ylmethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 20857253
N-(2,4-dimethoxyphenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429909
N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502114

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid?
The IUPAC name of 2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid (CID 59814760) is 2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid is O=C(O)Cn1c(=O)c2cc(Oc3ccc(-c4ccccc4)cc3)ccc2n(Cc2ccco2)c1=O.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid?
The InChIKey is LGUGAHLBYAPESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O6/c30-25(31)17-29-26(32)23-15-21(12-13-24(23)28(27(29)33)16-22-7-4-14-34-22)35-20-10-8-19(9-11-20)18-5-2-1-3-6-18/h1-15H,16-17H2,(H,30,31).
What are the key properties of 2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid?
2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid has a molecular weight of 468.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid is sourced from PubChem (CID 59814760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).