3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one

C23H24N6O — CID 126897557

IUPAC3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(c4cnc5ccccc5n4)CC3)ccc2c1=O
InChIInChI=1S/C23H24N6O/c1-16(2)29-15-25-21-13-17(7-8-18(21)23(29)30)27-9-11-28(12-10-27)22-14-24-19-5-3-4-6-20(19)26-22/h3-8,13-16H,9-12H2,1-2H3
InChIKeySRIQEQDVBTXJDY-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.25
Rot. Bonds3

About 3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one

3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one (PubChem CID 126897557) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one
PubChem CID126897557
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(c4cnc5ccccc5n4)CC3)ccc2c1=O
InChIInChI=1S/C23H24N6O/c1-16(2)29-15-25-21-13-17(7-8-18(21)23(29)30)27-9-11-28(12-10-27)22-14-24-19-5-3-4-6-20(19)26-22/h3-8,13-16H,9-12H2,1-2H3
InChIKeySRIQEQDVBTXJDY-UHFFFAOYSA-N
XLogP3.25
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897381
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897590
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897440
7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897389
3-propan-2-yl-7-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazolin-4-one
CID 126897319
3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897369
7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897294
7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897624
3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897487

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one?
The IUPAC name of 3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one (CID 126897557) is 3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one.
What is the SMILES notation for 3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one?
The canonical SMILES for 3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one is CC(C)n1cnc2cc(N3CCN(c4cnc5ccccc5n4)CC3)ccc2c1=O.
What is the InChIKey of 3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one?
The InChIKey is SRIQEQDVBTXJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-16(2)29-15-25-21-13-17(7-8-18(21)23(29)30)27-9-11-28(12-10-27)22-14-24-19-5-3-4-6-20(19)26-22/h3-8,13-16H,9-12H2,1-2H3.
What are the key properties of 3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one?
3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one has a molecular weight of 400.49 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one is sourced from PubChem (CID 126897557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).