2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one

C24H32N2O3 — CID 54778824

IUPAC2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one
SMILESCCCCCCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1CCOC
InChIInChI=1S/C24H32N2O3/c1-4-5-6-11-17-29-22-15-10-8-13-20(22)24(2)25-21-14-9-7-12-19(21)23(27)26(24)16-18-28-3/h7-10,12-15,25H,4-6,11,16-18H2,1-3H3
InChIKeySNBBBRPBMKBJHD-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.03
Rot. Bonds10

About 2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one

2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one (PubChem CID 54778824) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one
PubChem CID54778824
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one
SMILESCCCCCCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1CCOC
InChIInChI=1S/C24H32N2O3/c1-4-5-6-11-17-29-22-15-10-8-13-20(22)24(2)25-21-14-9-7-12-19(21)23(27)26(24)16-18-28-3/h7-10,12-15,25H,4-6,11,16-18H2,1-3H3
InChIKeySNBBBRPBMKBJHD-UHFFFAOYSA-N
XLogP5.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one?
The IUPAC name of 2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one (CID 54778824) is 2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one.
What is the SMILES notation for 2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one?
The canonical SMILES for 2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one is CCCCCCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1CCOC.
What is the InChIKey of 2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one?
The InChIKey is SNBBBRPBMKBJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-4-5-6-11-17-29-22-15-10-8-13-20(22)24(2)25-21-14-9-7-12-19(21)23(27)26(24)16-18-28-3/h7-10,12-15,25H,4-6,11,16-18H2,1-3H3.
What are the key properties of 2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one?
2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one has a molecular weight of 396.53 g/mol, XLogP of 5.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexoxyphenyl)-3-(2-methoxyethyl)-2-methyl-1H-quinazolin-4-one is sourced from PubChem (CID 54778824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).