3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one

C21H26N2O2 — CID 54778020

IUPAC3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCCOc1ccccc1C1Nc2ccccc2C(=O)N1CC
InChIInChI=1S/C21H26N2O2/c1-3-5-10-15-25-19-14-9-7-12-17(19)20-22-18-13-8-6-11-16(18)21(24)23(20)4-2/h6-9,11-14,20,22H,3-5,10,15H2,1-2H3
InChIKeyKJFVRZQYAYRXCA-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.84
Rot. Bonds7

About 3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one

3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778020) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54778020
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCCOc1ccccc1C1Nc2ccccc2C(=O)N1CC
InChIInChI=1S/C21H26N2O2/c1-3-5-10-15-25-19-14-9-7-12-17(19)20-22-18-13-8-6-11-16(18)21(24)23(20)4-2/h6-9,11-14,20,22H,3-5,10,15H2,1-2H3
InChIKeyKJFVRZQYAYRXCA-UHFFFAOYSA-N
XLogP4.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54778020) is 3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one is CCCCCOc1ccccc1C1Nc2ccccc2C(=O)N1CC.
What is the InChIKey of 3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is KJFVRZQYAYRXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-5-10-15-25-19-14-9-7-12-17(19)20-22-18-13-8-6-11-16(18)21(24)23(20)4-2/h6-9,11-14,20,22H,3-5,10,15H2,1-2H3.
What are the key properties of 3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 338.45 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).