2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one

C22H26N2O3 — CID 54777891

IUPAC2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one
SMILESCC(C)N1C(=O)c2ccccc2NC1c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C22H26N2O3/c1-15(2)24-21(23-20-11-4-3-10-19(20)22(24)25)16-7-5-8-17(13-16)27-14-18-9-6-12-26-18/h3-5,7-8,10-11,13,15,18,21,23H,6,9,12,14H2,1-2H3
InChIKeyOGYYIDYDEFVWGG-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.22
Rot. Bonds5

About 2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one

2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 54777891) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID54777891
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one
SMILESCC(C)N1C(=O)c2ccccc2NC1c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C22H26N2O3/c1-15(2)24-21(23-20-11-4-3-10-19(20)22(24)25)16-7-5-8-17(13-16)27-14-18-9-6-12-26-18/h3-5,7-8,10-11,13,15,18,21,23H,6,9,12,14H2,1-2H3
InChIKeyOGYYIDYDEFVWGG-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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Related Compounds

2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione
CID 41444589
3-butan-2-yl-2-(3-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779071
(2R)-2-(3-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 95167778
2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one
CID 54777762
3-butan-2-yl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54778992
3-butan-2-yl-2-ethyl-2-[4-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
CID 54779143
3-(oxolan-2-ylmethyl)-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780068
(2R)-2-(4-ethoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 25384421
(2R)-2-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41038616
3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
CID 54779127
2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 24512402
2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54779717

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one (CID 54777891) is 2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one is CC(C)N1C(=O)c2ccccc2NC1c1cccc(OCC2CCCO2)c1.
What is the InChIKey of 2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is OGYYIDYDEFVWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(2)24-21(23-20-11-4-3-10-19(20)22(24)25)16-7-5-8-17(13-16)27-14-18-9-6-12-26-18/h3-5,7-8,10-11,13,15,18,21,23H,6,9,12,14H2,1-2H3.
What are the key properties of 2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one?
2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-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 2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54777891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).