ethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one

C22H28N2O2 — CID 142195937

IUPACethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
SMILESCC.CC(C)c1ccc(-c2nc(=O)n(C(C)C)c3ccc(O)cc23)cc1
InChIInChI=1S/C20H22N2O2.C2H6/c1-12(2)14-5-7-15(8-6-14)19-17-11-16(23)9-10-18(17)22(13(3)4)20(24)21-19;1-2/h5-13,23H,1-4H3;1-2H3
InChIKeyVOHOEHSQUSZSIX-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.50
Rot. Bonds3

About ethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one

ethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one (PubChem CID 142195937) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is ethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one.

Molecular Properties

Compound Nameethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
PubChem CID142195937
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Nameethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
SMILESCC.CC(C)c1ccc(-c2nc(=O)n(C(C)C)c3ccc(O)cc23)cc1
InChIInChI=1S/C20H22N2O2.C2H6/c1-12(2)14-5-7-15(8-6-14)19-17-11-16(23)9-10-18(17)22(13(3)4)20(24)21-19;1-2/h5-13,23H,1-4H3;1-2H3
InChIKeyVOHOEHSQUSZSIX-UHFFFAOYSA-N
XLogP5.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
CID 45140004
4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one
CID 125483876
4-(4-propan-2-ylphenyl)-1-[(4-propan-2-ylphenyl)methyl]-6-prop-2-ynoxyquinazolin-2-one
CID 45140790
1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
CID 59259144
1-[(4,5-dichlorothiophen-2-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
CID 59259142
3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride
CID 174345807
8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one
CID 23505631
4-amino-1-propan-2-ylquinazolin-2-one
CID 156889369
4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-1-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]quinazolin-2-one
CID 59259090
1-[(3-chlorophenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
CID 59259170
methane;4-propan-2-ylphenol
CID 159328733
1-[2-[2-oxo-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-1-yl]phenyl]ethyl acetate
CID 87673212

Frequently Asked Questions

What is the IUPAC name of ethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The IUPAC name of ethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one (CID 142195937) is ethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one.
What is the SMILES notation for ethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The canonical SMILES for ethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one is CC.CC(C)c1ccc(-c2nc(=O)n(C(C)C)c3ccc(O)cc23)cc1.
What is the InChIKey of ethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The InChIKey is VOHOEHSQUSZSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.C2H6/c1-12(2)14-5-7-15(8-6-14)19-17-11-16(23)9-10-18(17)22(13(3)4)20(24)21-19;1-2/h5-13,23H,1-4H3;1-2H3.
What are the key properties of ethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
ethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one has a molecular weight of 352.48 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one is sourced from PubChem (CID 142195937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).