5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide

C25H22FN3O4 — CID 136754980

About 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide

5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide (PubChem CID 136754980) has the molecular formula C25H22FN3O4 and a molecular weight of 447.47 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
• PubChem CID: 136754980
• Molecular Formula: C25H22FN3O4
• Molecular Weight: 447.47 g/mol
• Exact Mass: 447.16
• IUPAC Name: 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
• SMILES: O=C(c1ccc(-c2ccccc2F)o1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1
• InChI: InChI=1S/C25H22FN3O4/c26-19-9-3-1-7-17(19)21-11-12-22(33-21)25(31)29(14-16-6-5-13-32-16)15-23-27-20-10-4-2-8-18(20)24(30)28-23/h1-4,7-12,16H,5-6,13-15H2,(H,27,28,30)/t16-/m0/s1
• InChIKey: HUTFJRCGHXPINB-INIZCTEOSA-N
• XLogP: 4.14
• TPSA: 88.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.47
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide (CID 136754980) is 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide.

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

The canonical SMILES for 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide is O=C(c1ccc(-c2ccccc2F)o1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1.

What is the InChIKey of 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide?

The InChIKey is HUTFJRCGHXPINB-INIZCTEOSA-N. The full InChI is InChI=1S/C25H22FN3O4/c26-19-9-3-1-7-17(19)21-11-12-22(33-21)25(31)29(14-16-6-5-13-32-16)15-23-27-20-10-4-2-8-18(20)24(30)28-23/h1-4,7-12,16H,5-6,13-15H2,(H,27,28,30)/t16-/m0/s1.

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

5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 136754980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).