2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide

C25H23N3O4 — CID 168552478

IUPAC2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCC(=O)NCCc1ccccc1
InChIInChI=1S/C25H23N3O4/c1-31-22-15-18(24-27-20-10-6-5-9-19(20)25(30)28-24)11-12-21(22)32-16-23(29)26-14-13-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3,(H,26,29)(H,27,28,30)
InChIKeyBLUDQNFESBHGKB-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.34
Rot. Bonds8

About 2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide

2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide (PubChem CID 168552478) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
PubChem CID168552478
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCC(=O)NCCc1ccccc1
InChIInChI=1S/C25H23N3O4/c1-31-22-15-18(24-27-20-10-6-5-9-19(20)25(30)28-24)11-12-21(22)32-16-23(29)26-14-13-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3,(H,26,29)(H,27,28,30)
InChIKeyBLUDQNFESBHGKB-UHFFFAOYSA-N
XLogP3.34
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168554991
N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168551679
N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155550888
methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 168550749
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 172990739
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298653
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 19621775
2-[2-bromo-6-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 135402375
2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552193
ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate
CID 168552483
2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552184
N-benzyl-3-[3-(4-ethoxy-3-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135859320

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide (CID 168552478) is 2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide is COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide?
The InChIKey is BLUDQNFESBHGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-31-22-15-18(24-27-20-10-6-5-9-19(20)25(30)28-24)11-12-21(22)32-16-23(29)26-14-13-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3,(H,26,29)(H,27,28,30).
What are the key properties of 2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide?
2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide has a molecular weight of 429.48 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 168552478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).