2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide

C24H28N6O3S — CID 52945652

IUPAC2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
SMILESCNC(=O)c1cn(C)c2c1CCc1cnc(NC3CCN(S(=O)(=O)c4ccccc4)CC3)nc1-2
InChIInChI=1S/C24H28N6O3S/c1-25-23(31)20-15-29(2)22-19(20)9-8-16-14-26-24(28-21(16)22)27-17-10-12-30(13-11-17)34(32,33)18-6-4-3-5-7-18/h3-7,14-15,17H,8-13H2,1-2H3,(H,25,31)(H,26,27,28)
InChIKeyKORLUXLXWXODAL-UHFFFAOYSA-N
MW480.59 g/mol
LogP2.21
Rot. Bonds5

About 2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide

2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide (PubChem CID 52945652) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
PubChem CID52945652
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Name2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
SMILESCNC(=O)c1cn(C)c2c1CCc1cnc(NC3CCN(S(=O)(=O)c4ccccc4)CC3)nc1-2
InChIInChI=1S/C24H28N6O3S/c1-25-23(31)20-15-29(2)22-19(20)9-8-16-14-26-24(28-21(16)22)27-17-10-12-30(13-11-17)34(32,33)18-6-4-3-5-7-18/h3-7,14-15,17H,8-13H2,1-2H3,(H,25,31)(H,26,27,28)
InChIKeyKORLUXLXWXODAL-UHFFFAOYSA-N
XLogP2.21
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide 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 2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
The IUPAC name of 2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide (CID 52945652) is 2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide.
What is the SMILES notation for 2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
The canonical SMILES for 2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide is CNC(=O)c1cn(C)c2c1CCc1cnc(NC3CCN(S(=O)(=O)c4ccccc4)CC3)nc1-2.
What is the InChIKey of 2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
The InChIKey is KORLUXLXWXODAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-25-23(31)20-15-29(2)22-19(20)9-8-16-14-26-24(28-21(16)22)27-17-10-12-30(13-11-17)34(32,33)18-6-4-3-5-7-18/h3-7,14-15,17H,8-13H2,1-2H3,(H,25,31)(H,26,27,28).
What are the key properties of 2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide is sourced from PubChem (CID 52945652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).