N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

C22H22N4O5 — CID 135599065

About N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135599065) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
• PubChem CID: 135599065
• Molecular Formula: C22H22N4O5
• Molecular Weight: 422.44 g/mol
• Exact Mass: 422.16
• IUPAC Name: N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
• SMILES: COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1c(=O)oc2ccccc21
• InChI: InChI=1S/C22H22N4O5/c1-30-13-12-25(14-19-23-16-7-3-2-6-15(16)21(28)24-19)20(27)10-11-26-17-8-4-5-9-18(17)31-22(26)29/h2-9H,10-14H2,1H3,(H,23,24,28)
• InChIKey: DBGUBQOCYPBXBC-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 110.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.44
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The IUPAC name of N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135599065) is N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

What is the SMILES notation for N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The canonical SMILES for N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1c(=O)oc2ccccc21.

What is the InChIKey of N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The InChIKey is DBGUBQOCYPBXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-30-13-12-25(14-19-23-16-7-3-2-6-15(16)21(28)24-19)20(27)10-11-26-17-8-4-5-9-18(17)31-22(26)29/h2-9H,10-14H2,1H3,(H,23,24,28).

What are the key properties of N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 422.44 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135599065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).