N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide

C25H32N4O6 — CID 135979024

IUPACN-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN(CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c1
InChIInChI=1S/C25H32N4O6/c1-6-29(15-24(30)27-19-11-16(34-7-2)9-10-20(19)35-8-3)14-23-26-18-13-22(33-5)21(32-4)12-17(18)25(31)28-23/h9-13H,6-8,14-15H2,1-5H3,(H,27,30)(H,26,28,31)
InChIKeyQEYRHQQTSHVVNQ-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.20
Rot. Bonds12

About N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide

N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide (PubChem CID 135979024) has the molecular formula C25H32N4O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide
PubChem CID135979024
Molecular FormulaC25H32N4O6
Molecular Weight484.55 g/mol
Exact Mass484.23
IUPAC NameN-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN(CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c1
InChIInChI=1S/C25H32N4O6/c1-6-29(15-24(30)27-19-11-16(34-7-2)9-10-20(19)35-8-3)14-23-26-18-13-22(33-5)21(32-4)12-17(18)25(31)28-23/h9-13H,6-8,14-15H2,1-5H3,(H,27,30)(H,26,28,31)
InChIKeyQEYRHQQTSHVVNQ-UHFFFAOYSA-N
XLogP3.20
TPSA115.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide with MolForge

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Related Compounds

2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3-sulfamoylphenyl)acetamide
CID 135530907
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide
CID 135808666
2-[[ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135739497
methyl 3-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]benzoate
CID 135808592
2-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135808562
6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
CID 137010023
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
N-(2,5-diethoxyphenyl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]acetamide
CID 24565625
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide
CID 135809025
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide
CID 135808390

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide (CID 135979024) is N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide is CCOc1ccc(OCC)c(NC(=O)CN(CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide?
The InChIKey is QEYRHQQTSHVVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O6/c1-6-29(15-24(30)27-19-11-16(34-7-2)9-10-20(19)35-8-3)14-23-26-18-13-22(33-5)21(32-4)12-17(18)25(31)28-23/h9-13H,6-8,14-15H2,1-5H3,(H,27,30)(H,26,28,31).
What are the key properties of N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide?
N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide has a molecular weight of 484.55 g/mol, XLogP of 3.20, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide is sourced from PubChem (CID 135979024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).