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

C21H25N5O6S — CID 135530907

IUPAC2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3-sulfamoylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C21H25N5O6S/c1-4-26(12-20(27)23-13-6-5-7-14(8-13)33(22,29)30)11-19-24-16-10-18(32-3)17(31-2)9-15(16)21(28)25-19/h5-10H,4,11-12H2,1-3H3,(H,23,27)(H2,22,29,30)(H,24,25,28)
InChIKeyCNXAADZXZRAJPC-UHFFFAOYSA-N
MW475.53 g/mol
LogP1.05
Rot. Bonds9

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

2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 135530907) has the molecular formula C21H25N5O6S and a molecular weight of 475.53 g/mol. Its IUPAC name is 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3-sulfamoylphenyl)acetamide
PubChem CID135530907
Molecular FormulaC21H25N5O6S
Molecular Weight475.53 g/mol
Exact Mass475.15
IUPAC Name2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3-sulfamoylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C21H25N5O6S/c1-4-26(12-20(27)23-13-6-5-7-14(8-13)33(22,29)30)11-19-24-16-10-18(32-3)17(31-2)9-15(16)21(28)25-19/h5-10H,4,11-12H2,1-3H3,(H,23,27)(H2,22,29,30)(H,24,25,28)
InChIKeyCNXAADZXZRAJPC-UHFFFAOYSA-N
XLogP1.05
TPSA156.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide
CID 135979024
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
methyl 3-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]benzoate
CID 135808592
2-[[ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135739497
2-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135808562
N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide
CID 135808666
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 39895252
2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 137156480
(2S)-2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-methylbutanamide
CID 137132828
N-(2,6-dimethylphenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808330
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide
CID 135809025

Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3-sulfamoylphenyl)acetamide (CID 135530907) is 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3-sulfamoylphenyl)acetamide is CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)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-(3-sulfamoylphenyl)acetamide?
The InChIKey is CNXAADZXZRAJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O6S/c1-4-26(12-20(27)23-13-6-5-7-14(8-13)33(22,29)30)11-19-24-16-10-18(32-3)17(31-2)9-15(16)21(28)25-19/h5-10H,4,11-12H2,1-3H3,(H,23,27)(H2,22,29,30)(H,24,25,28).
What are the key properties of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3-sulfamoylphenyl)acetamide?
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 475.53 g/mol, XLogP of 1.05, 9 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-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 135530907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).