N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C25H30N4O5 — CID 135886771

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1OCC
InChIInChI=1S/C25H30N4O5/c1-4-33-20-14-13-17(15-21(20)34-5-2)26-23(30)16-29(3)24(31)12-8-11-22-27-19-10-7-6-9-18(19)25(32)28-22/h6-7,9-10,13-15H,4-5,8,11-12,16H2,1-3H3,(H,26,30)(H,27,28,32)
InChIKeyPTLOORPLQGBGLB-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.14
Rot. Bonds11

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135886771) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135886771
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1OCC
InChIInChI=1S/C25H30N4O5/c1-4-33-20-14-13-17(15-21(20)34-5-2)26-23(30)16-29(3)24(31)12-8-11-22-27-19-10-7-6-9-18(19)25(32)28-22/h6-7,9-10,13-15H,4-5,8,11-12,16H2,1-3H3,(H,26,30)(H,27,28,32)
InChIKeyPTLOORPLQGBGLB-UHFFFAOYSA-N
XLogP3.14
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide with MolForge

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Related Compounds

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135972244
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135869204
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
CID 43007494
2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 135836465
N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide
CID 39757435
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135738591
N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide
CID 135976954
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135877243
N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135619644
N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570381
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 24981774
methyl 4-[[methyl-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]methyl]benzoate
CID 135915704

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135886771) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide is CCOc1ccc(NC(=O)CN(C)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is PTLOORPLQGBGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-4-33-20-14-13-17(15-21(20)34-5-2)26-23(30)16-29(3)24(31)12-8-11-22-27-19-10-7-6-9-18(19)25(32)28-22/h6-7,9-10,13-15H,4-5,8,11-12,16H2,1-3H3,(H,26,30)(H,27,28,32).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 466.54 g/mol, XLogP of 3.14, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135886771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).