N-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

C20H20N4O4 — CID 135415519

IUPACN-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H20N4O4/c1-2-24(10-18-22-15-6-4-3-5-14(15)20(26)23-18)11-19(25)21-13-7-8-16-17(9-13)28-12-27-16/h3-9H,2,10-12H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyLKXUWZZXBNQMRT-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.11
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (PubChem CID 135415519) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
PubChem CID135415519
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H20N4O4/c1-2-24(10-18-22-15-6-4-3-5-14(15)20(26)23-18)11-19(25)21-13-7-8-16-17(9-13)28-12-27-16/h3-9H,2,10-12H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyLKXUWZZXBNQMRT-UHFFFAOYSA-N
XLogP2.11
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (CID 135415519) is N-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is CCN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The InChIKey is LKXUWZZXBNQMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-2-24(10-18-22-15-6-4-3-5-14(15)20(26)23-18)11-19(25)21-13-7-8-16-17(9-13)28-12-27-16/h3-9H,2,10-12H2,1H3,(H,21,25)(H,22,23,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide has a molecular weight of 380.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 135415519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).