2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide

C23H21N3O4 — CID 22429523

IUPAC2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)NCc1ccco1
InChIInChI=1S/C23H21N3O4/c27-21(24-15-18-9-6-14-30-18)16-26-20-11-5-4-10-19(20)22(28)25(23(26)29)13-12-17-7-2-1-3-8-17/h1-11,14H,12-13,15-16H2,(H,24,27)
InChIKeyDBRGWVVVSSIGRU-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.32
Rot. Bonds7

About 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 22429523) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID22429523
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)NCc1ccco1
InChIInChI=1S/C23H21N3O4/c27-21(24-15-18-9-6-14-30-18)16-26-20-11-5-4-10-19(20)22(28)25(23(26)29)13-12-17-7-2-1-3-8-17/h1-11,14H,12-13,15-16H2,(H,24,27)
InChIKeyDBRGWVVVSSIGRU-UHFFFAOYSA-N
XLogP2.32
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22429989
5-[2,4-dioxo-1-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]quinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
CID 94071172
4-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 3243629
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 6502316
N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
CID 6621477
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 51046638
N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502350
5-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
CID 50762811
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-methylbutyl)acetamide
CID 51046610
2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 11957189
2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 6502140
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-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 22429523) is 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)NCc1ccco1.
What is the InChIKey of 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is DBRGWVVVSSIGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c27-21(24-15-18-9-6-14-30-18)16-26-20-11-5-4-10-19(20)22(28)25(23(26)29)13-12-17-7-2-1-3-8-17/h1-11,14H,12-13,15-16H2,(H,24,27).
What are the key properties of 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 403.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 22429523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).