3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one

C22H22N4O2 — CID 86167686

IUPAC3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
SMILESCC(C)c1nc2ccccc2c(=O)n1-n1c(C(C)C)nc2ccccc2c1=O
InChIInChI=1S/C22H22N4O2/c1-13(2)19-23-17-11-7-5-9-15(17)21(27)25(19)26-20(14(3)4)24-18-12-8-6-10-16(18)22(26)28/h5-14H,1-4H3
InChIKeyDJLRLBFOQFCEDT-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.66
Rot. Bonds3

About 3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one

3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one (PubChem CID 86167686) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
PubChem CID86167686
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
SMILESCC(C)c1nc2ccccc2c(=O)n1-n1c(C(C)C)nc2ccccc2c1=O
InChIInChI=1S/C22H22N4O2/c1-13(2)19-23-17-11-7-5-9-15(17)21(27)25(19)26-20(14(3)4)24-18-12-8-6-10-16(18)22(26)28/h5-14H,1-4H3
InChIKeyDJLRLBFOQFCEDT-UHFFFAOYSA-N
XLogP3.66
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(8-azabicyclo[5.1.0]octa-2,4-dien-8-yl)-2-propan-2-ylquinazolin-4-one
CID 11109143
CID 164840749
CID 164840749
(3aR,7aS)-3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-3a,4,5,7a-tetrahydro-1,3-benzoxazol-2-one
CID 10969404
[(1S)-1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-methylazanium
CID 6941009
3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one
CID 1462732
7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one
CID 53402974
3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497
[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium
CID 6941034
2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide
CID 16723037
(2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide
CID 16723151
3-amino-2-(dichloromethyl)quinazolin-4-one
CID 86167528
2-methyl-3-pyrrol-1-ylquinazolin-4-one
CID 15619789

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one?
The IUPAC name of 3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one (CID 86167686) is 3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one?
The canonical SMILES for 3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one is CC(C)c1nc2ccccc2c(=O)n1-n1c(C(C)C)nc2ccccc2c1=O.
What is the InChIKey of 3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one?
The InChIKey is DJLRLBFOQFCEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13(2)19-23-17-11-7-5-9-15(17)21(27)25(19)26-20(14(3)4)24-18-12-8-6-10-16(18)22(26)28/h5-14H,1-4H3.
What are the key properties of 3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one?
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one has a molecular weight of 374.44 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 86167686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).