4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide

C26H28N6O4S — CID 143637750

IUPAC4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide
SMILESNC(=O)c1ccc(C2=C(OC3CCNCC3)c3nc(Nc4ccc(S(N)(=O)=O)cc4)ncc3CC2)cc1
InChIInChI=1S/C26H28N6O4S/c27-25(33)17-3-1-16(2-4-17)22-10-5-18-15-30-26(31-19-6-8-21(9-7-19)37(28,34)35)32-23(18)24(22)36-20-11-13-29-14-12-20/h1-4,6-9,15,20,29H,5,10-14H2,(H2,27,33)(H2,28,34,35)(H,30,31,32)
InChIKeyXPBJBBJMBHCNOM-UHFFFAOYSA-N
MW520.62 g/mol
LogP2.55
Rot. Bonds7

About 4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide

4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide (PubChem CID 143637750) has the molecular formula C26H28N6O4S and a molecular weight of 520.62 g/mol. Its IUPAC name is 4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide.

Molecular Properties

Compound Name4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide
PubChem CID143637750
Molecular FormulaC26H28N6O4S
Molecular Weight520.62 g/mol
Exact Mass520.19
IUPAC Name4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide
SMILESNC(=O)c1ccc(C2=C(OC3CCNCC3)c3nc(Nc4ccc(S(N)(=O)=O)cc4)ncc3CC2)cc1
InChIInChI=1S/C26H28N6O4S/c27-25(33)17-3-1-16(2-4-17)22-10-5-18-15-30-26(31-19-6-8-21(9-7-19)37(28,34)35)32-23(18)24(22)36-20-11-13-29-14-12-20/h1-4,6-9,15,20,29H,5,10-14H2,(H2,27,33)(H2,28,34,35)(H,30,31,32)
InChIKeyXPBJBBJMBHCNOM-UHFFFAOYSA-N
XLogP2.55
TPSA162.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.62
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide?
The IUPAC name of 4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide (CID 143637750) is 4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide.
What is the SMILES notation for 4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide?
The canonical SMILES for 4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide is NC(=O)c1ccc(C2=C(OC3CCNCC3)c3nc(Nc4ccc(S(N)(=O)=O)cc4)ncc3CC2)cc1.
What is the InChIKey of 4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide?
The InChIKey is XPBJBBJMBHCNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4S/c27-25(33)17-3-1-16(2-4-17)22-10-5-18-15-30-26(31-19-6-8-21(9-7-19)37(28,34)35)32-23(18)24(22)36-20-11-13-29-14-12-20/h1-4,6-9,15,20,29H,5,10-14H2,(H2,27,33)(H2,28,34,35)(H,30,31,32).
What are the key properties of 4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide?
4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide has a molecular weight of 520.62 g/mol, XLogP of 2.55, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide is sourced from PubChem (CID 143637750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).