2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C23H29N5O6S — CID 135490265

IUPAC2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C23H29N5O6S/c1-4-28(14-22(29)25-10-9-15-5-7-16(8-6-15)35(24,31)32)13-21-26-18-12-20(34-3)19(33-2)11-17(18)23(30)27-21/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,25,29)(H2,24,31,32)(H,26,27,30)
InChIKeyYWQPQVLPJJGGCN-UHFFFAOYSA-N
MW503.58 g/mol
LogP0.77
Rot. Bonds11

About 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 135490265) has the molecular formula C23H29N5O6S and a molecular weight of 503.58 g/mol. Its IUPAC name is 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID135490265
Molecular FormulaC23H29N5O6S
Molecular Weight503.58 g/mol
Exact Mass503.18
IUPAC Name2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C23H29N5O6S/c1-4-28(14-22(29)25-10-9-15-5-7-16(8-6-15)35(24,31)32)13-21-26-18-12-20(34-3)19(33-2)11-17(18)23(30)27-21/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,25,29)(H2,24,31,32)(H,26,27,30)
InChIKeyYWQPQVLPJJGGCN-UHFFFAOYSA-N
XLogP0.77
TPSA156.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 135490265) is 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.
What is the InChIKey of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is YWQPQVLPJJGGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O6S/c1-4-28(14-22(29)25-10-9-15-5-7-16(8-6-15)35(24,31)32)13-21-26-18-12-20(34-3)19(33-2)11-17(18)23(30)27-21/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,25,29)(H2,24,31,32)(H,26,27,30).
What are the key properties of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 503.58 g/mol, XLogP of 0.77, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 135490265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).