4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide

C24H22N6O — CID 25055156

IUPAC4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2ncnc3ccc(-c4ccc(N5CCNCC5)nc4)cc23)cc1
InChIInChI=1S/C24H22N6O/c25-24(31)17-3-1-16(2-4-17)23-20-13-18(5-7-21(20)28-15-29-23)19-6-8-22(27-14-19)30-11-9-26-10-12-30/h1-8,13-15,26H,9-12H2,(H2,25,31)
InChIKeyGQXDFUNDDPZSCP-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.87
Rot. Bonds4

About 4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide

4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide (PubChem CID 25055156) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide.

Molecular Properties

Compound Name4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide
PubChem CID25055156
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2ncnc3ccc(-c4ccc(N5CCNCC5)nc4)cc23)cc1
InChIInChI=1S/C24H22N6O/c25-24(31)17-3-1-16(2-4-17)23-20-13-18(5-7-21(20)28-15-29-23)19-6-8-22(27-14-19)30-11-9-26-10-12-30/h1-8,13-15,26H,9-12H2,(H2,25,31)
InChIKeyGQXDFUNDDPZSCP-UHFFFAOYSA-N
XLogP2.87
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide?
The IUPAC name of 4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide (CID 25055156) is 4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide.
What is the SMILES notation for 4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide?
The canonical SMILES for 4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide is NC(=O)c1ccc(-c2ncnc3ccc(-c4ccc(N5CCNCC5)nc4)cc23)cc1.
What is the InChIKey of 4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide?
The InChIKey is GQXDFUNDDPZSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c25-24(31)17-3-1-16(2-4-17)23-20-13-18(5-7-21(20)28-15-29-23)19-6-8-22(27-14-19)30-11-9-26-10-12-30/h1-8,13-15,26H,9-12H2,(H2,25,31).
What are the key properties of 4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide?
4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide has a molecular weight of 410.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide is sourced from PubChem (CID 25055156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).