4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide

C24H23N3O4 — CID 3237291

IUPAC4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide
SMILESO=C(CCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NCc1ccco1
InChIInChI=1S/C24H23N3O4/c28-22(25-16-19-10-7-15-31-19)13-6-14-26-23(29)20-11-4-5-12-21(20)27(24(26)30)17-18-8-2-1-3-9-18/h1-5,7-12,15H,6,13-14,16-17H2,(H,25,28)
InChIKeyWDZPMFBZPGTOSN-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.90
Rot. Bonds8

About 4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide

4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide (PubChem CID 3237291) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide
PubChem CID3237291
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide
SMILESO=C(CCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NCc1ccco1
InChIInChI=1S/C24H23N3O4/c28-22(25-16-19-10-7-15-31-19)13-6-14-26-23(29)20-11-4-5-12-21(20)27(24(26)30)17-18-8-2-1-3-9-18/h1-5,7-12,15H,6,13-14,16-17H2,(H,25,28)
InChIKeyWDZPMFBZPGTOSN-UHFFFAOYSA-N
XLogP2.90
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide (CID 3237291) is 4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide is O=C(CCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NCc1ccco1.
What is the InChIKey of 4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is WDZPMFBZPGTOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-22(25-16-19-10-7-15-31-19)13-6-14-26-23(29)20-11-4-5-12-21(20)27(24(26)30)17-18-8-2-1-3-9-18/h1-5,7-12,15H,6,13-14,16-17H2,(H,25,28).
What are the key properties of 4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide?
4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 417.47 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 3237291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).