3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one

C22H26N2O3 — CID 54779750

IUPAC3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCC(C)Oc1ccccc1C1Nc2ccccc2C(=O)N1CC1CCCO1
InChIInChI=1S/C22H26N2O3/c1-15(2)27-20-12-6-4-10-18(20)21-23-19-11-5-3-9-17(19)22(25)24(21)14-16-8-7-13-26-16/h3-6,9-12,15-16,21,23H,7-8,13-14H2,1-2H3
InChIKeyGEAYVIUECYYEEM-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.22
Rot. Bonds5

About 3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one

3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54779750) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54779750
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCC(C)Oc1ccccc1C1Nc2ccccc2C(=O)N1CC1CCCO1
InChIInChI=1S/C22H26N2O3/c1-15(2)27-20-12-6-4-10-18(20)21-23-19-11-5-3-9-17(19)22(25)24(21)14-16-8-7-13-26-16/h3-6,9-12,15-16,21,23H,7-8,13-14H2,1-2H3
InChIKeyGEAYVIUECYYEEM-UHFFFAOYSA-N
XLogP4.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54779750) is 3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one is CC(C)Oc1ccccc1C1Nc2ccccc2C(=O)N1CC1CCCO1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is GEAYVIUECYYEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(2)27-20-12-6-4-10-18(20)21-23-19-11-5-3-9-17(19)22(25)24(21)14-16-8-7-13-26-16/h3-6,9-12,15-16,21,23H,7-8,13-14H2,1-2H3.
What are the key properties of 3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 366.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).