N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide

C19H21N3O4 — CID 135939332

About N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide

N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide (PubChem CID 135939332) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
• PubChem CID: 135939332
• Molecular Formula: C19H21N3O4
• Molecular Weight: 355.39 g/mol
• Exact Mass: 355.15
• IUPAC Name: N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
• SMILES: COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C)oc1C
• InChI: InChI=1S/C19H21N3O4/c1-12-10-15(13(2)26-12)19(24)22(8-9-25-3)11-17-20-16-7-5-4-6-14(16)18(23)21-17/h4-7,10H,8-9,11H2,1-3H3,(H,20,21,23)
• InChIKey: KJPBYWJIAIQOQL-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 88.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.39
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide?

The IUPAC name of N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide (CID 135939332) is N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide.

What is the SMILES notation for N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide?

The canonical SMILES for N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C)oc1C.

What is the InChIKey of N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide?

The InChIKey is KJPBYWJIAIQOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12-10-15(13(2)26-12)19(24)22(8-9-25-3)11-17-20-16-7-5-4-6-14(16)18(23)21-17/h4-7,10H,8-9,11H2,1-3H3,(H,20,21,23).

What are the key properties of N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide?

N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 135939332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).