3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one

C22H22N2O2 — CID 54777720

IUPAC3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCC(C)c1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C22H22N2O2/c1-15(2)16-9-11-17(12-10-16)21-23-20-8-4-3-7-19(20)22(25)24(21)14-18-6-5-13-26-18/h3-13,15,21,23H,14H2,1-2H3
InChIKeyHSBFGXDZDREMDP-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.17
Rot. Bonds4

About 3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one

3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54777720) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54777720
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCC(C)c1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C22H22N2O2/c1-15(2)16-9-11-17(12-10-16)21-23-20-8-4-3-7-19(20)22(25)24(21)14-18-6-5-13-26-18/h3-13,15,21,23H,14H2,1-2H3
InChIKeyHSBFGXDZDREMDP-UHFFFAOYSA-N
XLogP5.17
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one (CID 54777720) is 3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one is CC(C)c1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is HSBFGXDZDREMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15(2)16-9-11-17(12-10-16)21-23-20-8-4-3-7-19(20)22(25)24(21)14-18-6-5-13-26-18/h3-13,15,21,23H,14H2,1-2H3.
What are the key properties of 3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 346.43 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54777720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).