2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide

C26H25N3O3 — CID 43988555

IUPAC2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1
InChIInChI=1S/C26H25N3O3/c1-4-32-21-12-9-19(10-13-21)16-25(30)28-23-14-11-20(15-17(23)2)29-18(3)27-24-8-6-5-7-22(24)26(29)31/h5-15H,4,16H2,1-3H3,(H,28,30)
InChIKeySVLQIJMXVAXQPZ-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.58
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide

2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide (PubChem CID 43988555) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
PubChem CID43988555
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1
InChIInChI=1S/C26H25N3O3/c1-4-32-21-12-9-19(10-13-21)16-25(30)28-23-14-11-20(15-17(23)2)29-18(3)27-24-8-6-5-7-22(24)26(29)31/h5-15H,4,16H2,1-3H3,(H,28,30)
InChIKeySVLQIJMXVAXQPZ-UHFFFAOYSA-N
XLogP4.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-ethoxybenzamide
CID 41077216
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxyacetamide
CID 43988539
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide
CID 50834702
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide
CID 50834726
2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 7294904
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 60589902
4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988524
2,5-dichloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41027687
ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate
CID 124926423
4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077206
5-bromo-2-ethoxy-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 43988626

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide (CID 43988555) is 2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide is CCOc1ccc(CC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
The InChIKey is SVLQIJMXVAXQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-4-32-21-12-9-19(10-13-21)16-25(30)28-23-14-11-20(15-17(23)2)29-18(3)27-24-8-6-5-7-22(24)26(29)31/h5-15H,4,16H2,1-3H3,(H,28,30).
What are the key properties of 2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide has a molecular weight of 427.50 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide is sourced from PubChem (CID 43988555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).