N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide

C23H28N4O4 — CID 135808188

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide
SMILESCCN(CC(=O)N(C)Cc1cccc(OC)c1OC)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H28N4O4/c1-5-27(14-20-24-18-11-7-6-10-17(18)23(29)25-20)15-21(28)26(2)13-16-9-8-12-19(30-3)22(16)31-4/h6-12H,5,13-15H2,1-4H3,(H,24,25,29)
InChIKeyVLRAMFSUEOGTJT-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.42
Rot. Bonds9

About N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide

N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide (PubChem CID 135808188) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide
PubChem CID135808188
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide
SMILESCCN(CC(=O)N(C)Cc1cccc(OC)c1OC)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H28N4O4/c1-5-27(14-20-24-18-11-7-6-10-17(18)23(29)25-20)15-21(28)26(2)13-16-9-8-12-19(30-3)22(16)31-4/h6-12H,5,13-15H2,1-4H3,(H,24,25,29)
InChIKeyVLRAMFSUEOGTJT-UHFFFAOYSA-N
XLogP2.42
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 135690330
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135690873
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135665194
2-[[ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135739497
N-(2,6-dimethylphenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808330
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135808290

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide (CID 135808188) is N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide is CCN(CC(=O)N(C)Cc1cccc(OC)c1OC)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide?
The InChIKey is VLRAMFSUEOGTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-5-27(14-20-24-18-11-7-6-10-17(18)23(29)25-20)15-21(28)26(2)13-16-9-8-12-19(30-3)22(16)31-4/h6-12H,5,13-15H2,1-4H3,(H,24,25,29).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide has a molecular weight of 424.50 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide is sourced from PubChem (CID 135808188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).