N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

C20H19N3O4 — CID 51196146

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)NC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H19N3O4/c1-12(14-7-8-17-18(9-14)27-11-26-17)21-19(24)10-23-13(2)22-16-6-4-3-5-15(16)20(23)25/h3-9,12H,10-11H2,1-2H3,(H,21,24)
InChIKeyPSIVVBXITZPBNT-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.31
Rot. Bonds4

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 51196146) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID51196146
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)NC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H19N3O4/c1-12(14-7-8-17-18(9-14)27-11-26-17)21-19(24)10-23-13(2)22-16-6-4-3-5-15(16)20(23)25/h3-9,12H,10-11H2,1-2H3,(H,21,24)
InChIKeyPSIVVBXITZPBNT-UHFFFAOYSA-N
XLogP2.31
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 40751497
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 46810378
N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51323962
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 24610247
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688433
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 5072343
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 41037329
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18143465
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55524175
2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 55576340
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 51196146) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1nc2ccccc2c(=O)n1CC(=O)NC(C)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is PSIVVBXITZPBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12(14-7-8-17-18(9-14)27-11-26-17)21-19(24)10-23-13(2)22-16-6-4-3-5-15(16)20(23)25/h3-9,12H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 365.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 51196146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).