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

C23H30N2O3 — CID 54778806

IUPAC2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCCCOc1ccc(C2Nc3ccccc3C(=O)N2CCOC)cc1
InChIInChI=1S/C23H30N2O3/c1-3-4-5-8-16-28-19-13-11-18(12-14-19)22-24-21-10-7-6-9-20(21)23(26)25(22)15-17-27-2/h6-7,9-14,22,24H,3-5,8,15-17H2,1-2H3
InChIKeyZXHTWRMQNRWUKV-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.86
Rot. Bonds10

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

2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778806) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
PubChem CID54778806
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCCCOc1ccc(C2Nc3ccccc3C(=O)N2CCOC)cc1
InChIInChI=1S/C23H30N2O3/c1-3-4-5-8-16-28-19-13-11-18(12-14-19)22-24-21-10-7-6-9-20(21)23(26)25(22)15-17-27-2/h6-7,9-14,22,24H,3-5,8,15-17H2,1-2H3
InChIKeyZXHTWRMQNRWUKV-UHFFFAOYSA-N
XLogP4.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.86
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-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (CID 54778806) is 2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is CCCCCCOc1ccc(C2Nc3ccccc3C(=O)N2CCOC)cc1.
What is the InChIKey of 2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is ZXHTWRMQNRWUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-4-5-8-16-28-19-13-11-18(12-14-19)22-24-21-10-7-6-9-20(21)23(26)25(22)15-17-27-2/h6-7,9-14,22,24H,3-5,8,15-17H2,1-2H3.
What are the key properties of 2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 382.50 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).