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

C20H24N2O2 — CID 54778278

IUPAC3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCCOc1cccc(C2Nc3ccccc3C(=O)N2C)c1
InChIInChI=1S/C20H24N2O2/c1-3-4-7-13-24-16-10-8-9-15(14-16)19-21-18-12-6-5-11-17(18)20(23)22(19)2/h5-6,8-12,14,19,21H,3-4,7,13H2,1-2H3
InChIKeyBKPATKAEPBLWKU-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.45
Rot. Bonds6

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

3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778278) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54778278
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCCOc1cccc(C2Nc3ccccc3C(=O)N2C)c1
InChIInChI=1S/C20H24N2O2/c1-3-4-7-13-24-16-10-8-9-15(14-16)19-21-18-12-6-5-11-17(18)20(23)22(19)2/h5-6,8-12,14,19,21H,3-4,7,13H2,1-2H3
InChIKeyBKPATKAEPBLWKU-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.45
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-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54778278) is 3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one is CCCCCOc1cccc(C2Nc3ccccc3C(=O)N2C)c1.
What is the InChIKey of 3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is BKPATKAEPBLWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-4-7-13-24-16-10-8-9-15(14-16)19-21-18-12-6-5-11-17(18)20(23)22(19)2/h5-6,8-12,14,19,21H,3-4,7,13H2,1-2H3.
What are the key properties of 3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 324.42 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).