N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide

C19H21N3O5 — CID 2916982

IUPACN-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide
SMILESCOc1cc(C2CC(=O)c3cnc(NC(C)=O)nc3C2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O5/c1-10(23)21-19-20-9-13-14(22-19)5-11(6-15(13)24)12-7-16(25-2)18(27-4)17(8-12)26-3/h7-9,11H,5-6H2,1-4H3,(H,20,21,22,23)
InChIKeyWMVPMFGAXCSMSA-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.37
Rot. Bonds5

About N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide

N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide (PubChem CID 2916982) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide
PubChem CID2916982
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide
SMILESCOc1cc(C2CC(=O)c3cnc(NC(C)=O)nc3C2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O5/c1-10(23)21-19-20-9-13-14(22-19)5-11(6-15(13)24)12-7-16(25-2)18(27-4)17(8-12)26-3/h7-9,11H,5-6H2,1-4H3,(H,20,21,22,23)
InChIKeyWMVPMFGAXCSMSA-UHFFFAOYSA-N
XLogP2.37
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
The IUPAC name of N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide (CID 2916982) is N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide.
What is the SMILES notation for N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
The canonical SMILES for N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide is COc1cc(C2CC(=O)c3cnc(NC(C)=O)nc3C2)cc(OC)c1OC.
What is the InChIKey of N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
The InChIKey is WMVPMFGAXCSMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-10(23)21-19-20-9-13-14(22-19)5-11(6-15(13)24)12-7-16(25-2)18(27-4)17(8-12)26-3/h7-9,11H,5-6H2,1-4H3,(H,20,21,22,23).
What are the key properties of N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide has a molecular weight of 371.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide is sourced from PubChem (CID 2916982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).