2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one

C24H32N2O3 — CID 54778650

IUPAC2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCCCOc1ccccc1C1Nc2ccccc2C(=O)N1CCCOC
InChIInChI=1S/C24H32N2O3/c1-3-4-5-10-18-29-22-15-9-7-13-20(22)23-25-21-14-8-6-12-19(21)24(27)26(23)16-11-17-28-2/h6-9,12-15,23,25H,3-5,10-11,16-18H2,1-2H3
InChIKeyMQRWOKAMTUZPEX-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.25
Rot. Bonds11

About 2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one

2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778650) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
PubChem CID54778650
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCCCOc1ccccc1C1Nc2ccccc2C(=O)N1CCCOC
InChIInChI=1S/C24H32N2O3/c1-3-4-5-10-18-29-22-15-9-7-13-20(22)23-25-21-14-8-6-12-19(21)24(27)26(23)16-11-17-28-2/h6-9,12-15,23,25H,3-5,10-11,16-18H2,1-2H3
InChIKeyMQRWOKAMTUZPEX-UHFFFAOYSA-N
XLogP5.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.25
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-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one (CID 54778650) is 2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one is CCCCCCOc1ccccc1C1Nc2ccccc2C(=O)N1CCCOC.
What is the InChIKey of 2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is MQRWOKAMTUZPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-3-4-5-10-18-29-22-15-9-7-13-20(22)23-25-21-14-8-6-12-19(21)24(27)26(23)16-11-17-28-2/h6-9,12-15,23,25H,3-5,10-11,16-18H2,1-2H3.
What are the key properties of 2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 396.53 g/mol, XLogP of 5.25, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).