N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide

C22H24N4O5 — CID 135569912

About N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide

N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide (PubChem CID 135569912) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide
• PubChem CID: 135569912
• Molecular Formula: C22H24N4O5
• Molecular Weight: 424.46 g/mol
• Exact Mass: 424.17
• IUPAC Name: N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide
• SMILES: O=C(NCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCO1)c1ccco1
• InChI: InChI=1S/C22H24N4O5/c27-20(9-10-23-22(29)18-8-4-12-31-18)26(13-15-5-3-11-30-15)14-19-24-17-7-2-1-6-16(17)21(28)25-19/h1-2,4,6-8,12,15H,3,5,9-11,13-14H2,(H,23,29)(H,24,25,28)
• InChIKey: IEVGBWSGJOBSON-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 117.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.46
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide?

The IUPAC name of N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide (CID 135569912) is N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide.

What is the SMILES notation for N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide?

The canonical SMILES for N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide is O=C(NCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCO1)c1ccco1.

What is the InChIKey of N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide?

The InChIKey is IEVGBWSGJOBSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c27-20(9-10-23-22(29)18-8-4-12-31-18)26(13-15-5-3-11-30-15)14-19-24-17-7-2-1-6-16(17)21(28)25-19/h1-2,4,6-8,12,15H,3,5,9-11,13-14H2,(H,23,29)(H,24,25,28).

What are the key properties of N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide?

N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide is sourced from PubChem (CID 135569912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).