7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one

C17H16N2O2 — CID 53402974

IUPAC7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one
SMILESCC(C)c1nc2cc(O)ccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-11(2)16-18-15-10-13(20)8-9-14(15)17(21)19(16)12-6-4-3-5-7-12/h3-11,20H,1-2H3
InChIKeyBTXSVUJOLKXEFC-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.21
Rot. Bonds2

About 7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one

7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one (PubChem CID 53402974) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one
PubChem CID53402974
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one
SMILESCC(C)c1nc2cc(O)ccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-11(2)16-18-15-10-13(20)8-9-14(15)17(21)19(16)12-6-4-3-5-7-12/h3-11,20H,1-2H3
InChIKeyBTXSVUJOLKXEFC-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)-2-methoxybenzonitrile;3-(4-iodophenyl)-2-propan-2-ylquinazolin-4-one
CID 67113007
2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
CID 59777557
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 67112722
N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide
CID 42715387
3-(4-chlorophenyl)-7-nitro-2-propan-2-ylquinazolin-4-one;ethane
CID 143481243
7-hydroxy-2-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 5377276
3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one
CID 134427569
ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium
CID 7395887
N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 175863163
3-phenyl-2-(propan-2-ylamino)quinazolin-4-one
CID 11011362

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one?
The IUPAC name of 7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one (CID 53402974) is 7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one?
The canonical SMILES for 7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one is CC(C)c1nc2cc(O)ccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one?
The InChIKey is BTXSVUJOLKXEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(2)16-18-15-10-13(20)8-9-14(15)17(21)19(16)12-6-4-3-5-7-12/h3-11,20H,1-2H3.
What are the key properties of 7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one?
7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one has a molecular weight of 280.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 53402974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).