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

C21H26N2O2 — CID 54779345

IUPAC2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one
SMILESCCCCCCOc1ccc(C2(C)NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-4-5-8-15-25-17-13-11-16(12-14-17)21(2)22-19-10-7-6-9-18(19)20(24)23-21/h6-7,9-14,22H,3-5,8,15H2,1-2H3,(H,23,24)
InChIKeyVCLCTTXSZXVWRS-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.67
Rot. Bonds7

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

2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one (PubChem CID 54779345) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one
PubChem CID54779345
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one
SMILESCCCCCCOc1ccc(C2(C)NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-4-5-8-15-25-17-13-11-16(12-14-17)21(2)22-19-10-7-6-9-18(19)20(24)23-21/h6-7,9-14,22H,3-5,8,15H2,1-2H3,(H,23,24)
InChIKeyVCLCTTXSZXVWRS-UHFFFAOYSA-N
XLogP4.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one
CID 54779593
3-butyl-2-(4-hexoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778476
3-butan-2-yl-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779182
2-(4-hexoxyphenyl)-2-methyl-3-prop-2-enyl-1H-quinazolin-4-one
CID 54779617
3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54778314
2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one
CID 54777925
2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one
CID 54779481
3-benzyl-2-ethyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779288
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
CID 54779726
3-benzyl-2-(4-butoxyphenyl)-2-ethyl-1H-quinazolin-4-one
CID 54779287

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one (CID 54779345) is 2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one is CCCCCCOc1ccc(C2(C)NC(=O)c3ccccc3N2)cc1.
What is the InChIKey of 2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one?
The InChIKey is VCLCTTXSZXVWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-4-5-8-15-25-17-13-11-16(12-14-17)21(2)22-19-10-7-6-9-18(19)20(24)23-21/h6-7,9-14,22H,3-5,8,15H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one?
2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one has a molecular weight of 338.45 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one is sourced from PubChem (CID 54779345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).