2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one

C23H26N2O3 — CID 54780423

IUPAC2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one
SMILESC=CCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1CC1CCCO1
InChIInChI=1S/C23H26N2O3/c1-3-14-28-21-13-7-5-11-19(21)23(2)24-20-12-6-4-10-18(20)22(26)25(23)16-17-9-8-15-27-17/h3-7,10-13,17,24H,1,8-9,14-16H2,2H3
InChIKeyHHVMQNZMLLTDSG-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.17
Rot. Bonds6

About 2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one

2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one (PubChem CID 54780423) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one
PubChem CID54780423
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one
SMILESC=CCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1CC1CCCO1
InChIInChI=1S/C23H26N2O3/c1-3-14-28-21-13-7-5-11-19(21)23(2)24-20-12-6-4-10-18(20)22(26)25(23)16-17-9-8-15-27-17/h3-7,10-13,17,24H,1,8-9,14-16H2,2H3
InChIKeyHHVMQNZMLLTDSG-UHFFFAOYSA-N
XLogP4.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxypropyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
CID 54778667
3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
CID 54777688
2-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(oxolan-2-ylmethyl)-1H-quinazolin-4-one
CID 54779784
3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
CID 54779127
2-methyl-2-[2-(3-methylbutoxy)phenyl]-3-prop-2-enyl-1H-quinazolin-4-one
CID 54779464
3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one
CID 32967722
3-(oxolan-2-ylmethyl)spiro[1H-quinazoline-2,4'-thiane]-4-one
CID 47013379
2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one
CID 54777762
3-ethyl-2-methyl-2-(4-prop-2-enoxyphenyl)-1H-quinazolin-4-one
CID 54780173
2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one
CID 54777791
2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
CID 54778352
3-benzyl-2-methyl-2-(2-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779290

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one?
The IUPAC name of 2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one (CID 54780423) is 2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one is C=CCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1CC1CCCO1.
What is the InChIKey of 2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one?
The InChIKey is HHVMQNZMLLTDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-14-28-21-13-7-5-11-19(21)23(2)24-20-12-6-4-10-18(20)22(26)25(23)16-17-9-8-15-27-17/h3-7,10-13,17,24H,1,8-9,14-16H2,2H3.
What are the key properties of 2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one?
2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one has a molecular weight of 378.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one is sourced from PubChem (CID 54780423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).