N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide

C25H29N3O6 — CID 42713661

IUPACN-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1CCOC)N(CCOC)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C25H29N3O6/c1-4-20(23-26-19-8-6-5-7-18(19)25(30)28(23)12-14-32-3)27(11-13-31-2)24(29)17-9-10-21-22(15-17)34-16-33-21/h5-10,15,20H,4,11-14,16H2,1-3H3
InChIKeyHQYTXEGTQLGAAC-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.01
Rot. Bonds10

About N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide

N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42713661) has the molecular formula C25H29N3O6 and a molecular weight of 467.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
PubChem CID42713661
Molecular FormulaC25H29N3O6
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC NameN-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1CCOC)N(CCOC)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C25H29N3O6/c1-4-20(23-26-19-8-6-5-7-18(19)25(30)28(23)12-14-32-3)27(11-13-31-2)24(29)17-9-10-21-22(15-17)34-16-33-21/h5-10,15,20H,4,11-14,16H2,1-3H3
InChIKeyHQYTXEGTQLGAAC-UHFFFAOYSA-N
XLogP3.01
TPSA92.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 42711779
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 42723060
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide
CID 42712106
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide
CID 42717635
4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide
CID 5141627
N-ethyl-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42718793
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 42719837
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)naphthalene-2-carboxamide
CID 42728594
N-hexyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42719198
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
CID 42713415
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42713459
N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717584

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide (CID 42713661) is N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide is CCC(c1nc2ccccc2c(=O)n1CCOC)N(CCOC)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is HQYTXEGTQLGAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6/c1-4-20(23-26-19-8-6-5-7-18(19)25(30)28(23)12-14-32-3)27(11-13-31-2)24(29)17-9-10-21-22(15-17)34-16-33-21/h5-10,15,20H,4,11-14,16H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide?
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 3.01, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42713661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).