4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide

C24H24N6O3 — CID 11996858

IUPAC4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccno2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C24H24N6O3/c1-16-3-4-17(23(31)27-22-7-8-26-33-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-11-9-28(2)10-12-29/h3-8,13-15H,9-12H2,1-2H3,(H,27,31)
InChIKeyCIPNCVKDQLDODZ-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.69
Rot. Bonds4

About 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide

4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide (PubChem CID 11996858) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide
PubChem CID11996858
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccno2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C24H24N6O3/c1-16-3-4-17(23(31)27-22-7-8-26-33-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-11-9-28(2)10-12-29/h3-8,13-15H,9-12H2,1-2H3,(H,27,31)
InChIKeyCIPNCVKDQLDODZ-UHFFFAOYSA-N
XLogP2.69
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide?
The IUPAC name of 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide (CID 11996858) is 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2ccno2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O.
What is the InChIKey of 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide?
The InChIKey is CIPNCVKDQLDODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-16-3-4-17(23(31)27-22-7-8-26-33-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-11-9-28(2)10-12-29/h3-8,13-15H,9-12H2,1-2H3,(H,27,31).
What are the key properties of 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide?
4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide has a molecular weight of 444.50 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 11996858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).