2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide

C25H23N3O4 — CID 1042977

IUPAC2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide
SMILESCc1cccc(C)c1OCC(=O)Nn1c(COc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H23N3O4/c1-17-9-8-10-18(2)24(17)32-16-23(29)27-28-22(15-31-19-11-4-3-5-12-19)26-21-14-7-6-13-20(21)25(28)30/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyMISCNZVMUHLRDQ-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.74
Rot. Bonds7

About 2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide

2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide (PubChem CID 1042977) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide
PubChem CID1042977
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide
SMILESCc1cccc(C)c1OCC(=O)Nn1c(COc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H23N3O4/c1-17-9-8-10-18(2)24(17)32-16-23(29)27-28-22(15-31-19-11-4-3-5-12-19)26-21-14-7-6-13-20(21)25(28)30/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyMISCNZVMUHLRDQ-UHFFFAOYSA-N
XLogP3.74
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide (CID 1042977) is 2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide is Cc1cccc(C)c1OCC(=O)Nn1c(COc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide?
The InChIKey is MISCNZVMUHLRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17-9-8-10-18(2)24(17)32-16-23(29)27-28-22(15-31-19-11-4-3-5-12-19)26-21-14-7-6-13-20(21)25(28)30/h3-14H,15-16H2,1-2H3,(H,27,29).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide?
2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide is sourced from PubChem (CID 1042977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).