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

C23H21N3O3 — CID 3988866

IUPACN-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C23H21N3O3/c1-15(27)24-17-9-11-18(12-10-17)26-22(16-7-13-19(29-2)14-8-16)25-21-6-4-3-5-20(21)23(26)28/h3-14,22,25H,1-2H3,(H,24,27)
InChIKeyHEDCFQVDALVJJJ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.42
Rot. Bonds4

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

N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide (PubChem CID 3988866) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
PubChem CID3988866
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C23H21N3O3/c1-15(27)24-17-9-11-18(12-10-17)26-22(16-7-13-19(29-2)14-8-16)25-21-6-4-3-5-20(21)23(26)28/h3-14,22,25H,1-2H3,(H,24,27)
InChIKeyHEDCFQVDALVJJJ-UHFFFAOYSA-N
XLogP4.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064100
N-[4-[(2R)-2-(4-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064297
N-[4-[3-(3-chloro-4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 42915002
(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1219427
N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 2174419
2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 3117510
2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2901716
2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 25347550
N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide
CID 2887852
N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
CID 52899449
N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41063967
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011773

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide (CID 3988866) is N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide is COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide?
The InChIKey is HEDCFQVDALVJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15(27)24-17-9-11-18(12-10-17)26-22(16-7-13-19(29-2)14-8-16)25-21-6-4-3-5-20(21)23(26)28/h3-14,22,25H,1-2H3,(H,24,27).
What are the key properties of N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide?
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide is sourced from PubChem (CID 3988866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).