N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide

C26H27N3O4 — CID 52905272

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27N3O4/c1-32-20-11-7-18(8-12-20)15-16-27-24(30)17-29-25(19-9-13-21(33-2)14-10-19)28-23-6-4-3-5-22(23)26(29)31/h3-14,25,28H,15-17H2,1-2H3,(H,27,30)/t25-/m0/s1
InChIKeyWCNYTKMTUZDOOY-VWLOTQADSA-N
MW445.52 g/mol
LogP3.63
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide (PubChem CID 52905272) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
PubChem CID52905272
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27N3O4/c1-32-20-11-7-18(8-12-20)15-16-27-24(30)17-29-25(19-9-13-21(33-2)14-10-19)28-23-6-4-3-5-22(23)26(29)31/h3-14,25,28H,15-17H2,1-2H3,(H,27,30)/t25-/m0/s1
InChIKeyWCNYTKMTUZDOOY-VWLOTQADSA-N
XLogP3.63
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide with MolForge

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Related Compounds

methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate
CID 784677
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
4-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 9007070
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
(2S)-2-(3,5-dimethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,2-dihydroquinazolin-4-one
CID 9007084
N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
CID 52899449
3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 52901140
2-(6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 78149648
2-(2,4-dioxo-5-propan-2-ylidene-1,3-thiazolidin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18808977
2-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 166807912
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide (CID 52905272) is N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide is COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The InChIKey is WCNYTKMTUZDOOY-VWLOTQADSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-32-20-11-7-18(8-12-20)15-16-27-24(30)17-29-25(19-9-13-21(33-2)14-10-19)28-23-6-4-3-5-22(23)26(29)31/h3-14,25,28H,15-17H2,1-2H3,(H,27,30)/t25-/m0/s1.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide has a molecular weight of 445.52 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide is sourced from PubChem (CID 52905272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).