N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide

C26H26N4O4 — CID 52899449

IUPACN-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
SMILESCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C26H26N4O4/c1-17(31)27-19-9-11-20(12-10-19)28-24(32)15-16-30-25(18-7-13-21(34-2)14-8-18)29-23-6-4-3-5-22(23)26(30)33/h3-14,25,29H,15-16H2,1-2H3,(H,27,31)(H,28,32)/t25-/m1/s1
InChIKeyWJWYLSUAKKGIBJ-RUZDIDTESA-N
MW458.52 g/mol
LogP4.25
Rot. Bonds7

About N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide

N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide (PubChem CID 52899449) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
PubChem CID52899449
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
SMILESCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C26H26N4O4/c1-17(31)27-19-9-11-20(12-10-19)28-24(32)15-16-30-25(18-7-13-21(34-2)14-8-18)29-23-6-4-3-5-22(23)26(30)33/h3-14,25,29H,15-16H2,1-2H3,(H,27,31)(H,28,32)/t25-/m1/s1
InChIKeyWJWYLSUAKKGIBJ-RUZDIDTESA-N
XLogP4.25
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 3988866
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 52901140
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
methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate
CID 122179902
N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 52905272
N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 2174419
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 9008576
methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate
CID 9008981

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide (CID 52899449) is N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide is COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide?
The InChIKey is WJWYLSUAKKGIBJ-RUZDIDTESA-N. The full InChI is InChI=1S/C26H26N4O4/c1-17(31)27-19-9-11-20(12-10-19)28-24(32)15-16-30-25(18-7-13-21(34-2)14-8-18)29-23-6-4-3-5-22(23)26(30)33/h3-14,25,29H,15-16H2,1-2H3,(H,27,31)(H,28,32)/t25-/m1/s1.
What are the key properties of N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide?
N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide has a molecular weight of 458.52 g/mol, XLogP of 4.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide is sourced from PubChem (CID 52899449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).