3-hexyl-2-phenylquinazolin-4-one

C20H22N2O — CID 7559853

IUPAC3-hexyl-2-phenylquinazolin-4-one
SMILESCCCCCCn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H22N2O/c1-2-3-4-10-15-22-19(16-11-6-5-7-12-16)21-18-14-9-8-13-17(18)20(22)23/h5-9,11-14H,2-4,10,15H2,1H3
InChIKeyZEHDGXURZUIDNB-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.64
Rot. Bonds6

About 3-hexyl-2-phenylquinazolin-4-one

3-hexyl-2-phenylquinazolin-4-one (PubChem CID 7559853) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-hexyl-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-hexyl-2-phenylquinazolin-4-one
PubChem CID7559853
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name3-hexyl-2-phenylquinazolin-4-one
SMILESCCCCCCn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H22N2O/c1-2-3-4-10-15-22-19(16-11-6-5-7-12-16)21-18-14-9-8-13-17(18)20(22)23/h5-9,11-14H,2-4,10,15H2,1H3
InChIKeyZEHDGXURZUIDNB-UHFFFAOYSA-N
XLogP4.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
2-ethyl-3-pentylquinazolin-4-one
CID 529110
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2010216
[4-[4-oxo-3-[6-[4-oxo-2-(4-sulfooxyphenyl)quinazolin-3-yl]hexyl]quinazolin-2-yl]phenyl] hydrogen sulfate
CID 171345321
2-amino-3-butylquinazolin-4-one
CID 71653207
2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate
CID 14947175
1-dodecyl-4,5-dimethyl-2-phenylimidazole
CID 20532413
3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
CID 22484643
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2-phenylquinazolin-4-one?
The IUPAC name of 3-hexyl-2-phenylquinazolin-4-one (CID 7559853) is 3-hexyl-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-hexyl-2-phenylquinazolin-4-one?
The canonical SMILES for 3-hexyl-2-phenylquinazolin-4-one is CCCCCCn1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-hexyl-2-phenylquinazolin-4-one?
The InChIKey is ZEHDGXURZUIDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-3-4-10-15-22-19(16-11-6-5-7-12-16)21-18-14-9-8-13-17(18)20(22)23/h5-9,11-14H,2-4,10,15H2,1H3.
What are the key properties of 3-hexyl-2-phenylquinazolin-4-one?
3-hexyl-2-phenylquinazolin-4-one has a molecular weight of 306.41 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2-phenylquinazolin-4-one is sourced from PubChem (CID 7559853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).