3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one

C25H26N2O4 — CID 54777688

IUPAC3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
SMILESCC1(c2ccccc2OCC2CCCO2)Nc2ccccc2C(=O)N1Cc1ccco1
InChIInChI=1S/C25H26N2O4/c1-25(21-11-3-5-13-23(21)31-17-19-9-7-15-30-19)26-22-12-4-2-10-20(22)24(28)27(25)16-18-8-6-14-29-18/h2-6,8,10-14,19,26H,7,9,15-17H2,1H3
InChIKeyPNNKWECROSSPAO-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.78
Rot. Bonds6

About 3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one

3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one (PubChem CID 54777688) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
PubChem CID54777688
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
SMILESCC1(c2ccccc2OCC2CCCO2)Nc2ccccc2C(=O)N1Cc1ccco1
InChIInChI=1S/C25H26N2O4/c1-25(21-11-3-5-13-23(21)31-17-19-9-7-15-30-19)26-22-12-4-2-10-20(22)24(28)27(25)16-18-8-6-14-29-18/h2-6,8,10-14,19,26H,7,9,15-17H2,1H3
InChIKeyPNNKWECROSSPAO-UHFFFAOYSA-N
XLogP4.78
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one (CID 54777688) is 3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one is CC1(c2ccccc2OCC2CCCO2)Nc2ccccc2C(=O)N1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one?
The InChIKey is PNNKWECROSSPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-25(21-11-3-5-13-23(21)31-17-19-9-7-15-30-19)26-22-12-4-2-10-20(22)24(28)27(25)16-18-8-6-14-29-18/h2-6,8,10-14,19,26H,7,9,15-17H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one?
3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one has a molecular weight of 418.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one is sourced from PubChem (CID 54777688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).