2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

C20H23N3O5 — CID 55598140

IUPAC2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)C1c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C20H23N3O5/c1-21-17(24)11-23-14-8-6-5-7-13(14)20(26)22(2)19(23)12-9-15(27-3)18(25)16(10-12)28-4/h5-10,19,25H,11H2,1-4H3,(H,21,24)
InChIKeyMFPRXGMPEULSAQ-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.75
Rot. Bonds5

About 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (PubChem CID 55598140) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
PubChem CID55598140
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)C1c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C20H23N3O5/c1-21-17(24)11-23-14-8-6-5-7-13(14)20(26)22(2)19(23)12-9-15(27-3)18(25)16(10-12)28-4/h5-10,19,25H,11H2,1-4H3,(H,21,24)
InChIKeyMFPRXGMPEULSAQ-UHFFFAOYSA-N
XLogP1.75
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 55599170
2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 94065470
2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 47025358
2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 71897725
2-[(2R)-2-(4-bromothiophen-2-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 30872763
(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
CID 25343997
N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide
CID 124829810
(2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 1109453
N-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide
CID 84584813
(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7386974
2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 51936715
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 46613480

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (CID 55598140) is 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is CNC(=O)CN1c2ccccc2C(=O)N(C)C1c1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The InChIKey is MFPRXGMPEULSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-21-17(24)11-23-14-8-6-5-7-13(14)20(26)22(2)19(23)12-9-15(27-3)18(25)16(10-12)28-4/h5-10,19,25H,11H2,1-4H3,(H,21,24).
What are the key properties of 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide has a molecular weight of 385.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is sourced from PubChem (CID 55598140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).