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

C18H19N3O4 — CID 624917

IUPACN-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2NC(C)=O)cc1OC
InChIInChI=1S/C18H19N3O4/c1-11(22)20-21-17(12-8-9-15(24-2)16(10-12)25-3)19-14-7-5-4-6-13(14)18(21)23/h4-10,17,19H,1-3H3,(H,20,22)
InChIKeyFKQNGEBFBWTISZ-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.32
Rot. Bonds4

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

N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide (PubChem CID 624917) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
PubChem CID624917
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2NC(C)=O)cc1OC
InChIInChI=1S/C18H19N3O4/c1-11(22)20-21-17(12-8-9-15(24-2)16(10-12)25-3)19-14-7-5-4-6-13(14)18(21)23/h4-10,17,19H,1-3H3,(H,20,22)
InChIKeyFKQNGEBFBWTISZ-UHFFFAOYSA-N
XLogP2.32
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide (CID 624917) is N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide is COc1ccc(C2Nc3ccccc3C(=O)N2NC(C)=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The InChIKey is FKQNGEBFBWTISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11(22)20-21-17(12-8-9-15(24-2)16(10-12)25-3)19-14-7-5-4-6-13(14)18(21)23/h4-10,17,19H,1-3H3,(H,20,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide is sourced from PubChem (CID 624917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).