(2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one

C21H24N2O3 — CID 124718829

About (2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one

(2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one (PubChem CID 124718829) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

• Compound Name: (2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
• PubChem CID: 124718829
• Molecular Formula: C21H24N2O3
• Molecular Weight: 352.43 g/mol
• Exact Mass: 352.18
• IUPAC Name: (2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
• SMILES: C[C@@H]1C[C@@H]1c1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)o1
• InChI: InChI=1S/C21H24N2O3/c1-13-11-16(13)18-8-9-19(26-18)20-22-17-7-3-2-6-15(17)21(24)23(20)12-14-5-4-10-25-14/h2-3,6-9,13-14,16,20,22H,4-5,10-12H2,1H3/t13-,14-,16+,20+/m1/s1
• InChIKey: DXQBFXALQPGMEX-NKSTXHLWSA-N
• XLogP: 4.15
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.43
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?

The IUPAC name of (2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one (CID 124718829) is (2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one.

What is the SMILES notation for (2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?

The canonical SMILES for (2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one is C[C@@H]1C[C@@H]1c1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)o1.

What is the InChIKey of (2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?

The InChIKey is DXQBFXALQPGMEX-NKSTXHLWSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-11-16(13)18-8-9-19(26-18)20-22-17-7-3-2-6-15(17)21(24)23(20)12-14-5-4-10-25-14/h2-3,6-9,13-14,16,20,22H,4-5,10-12H2,1H3/t13-,14-,16+,20+/m1/s1.

What are the key properties of (2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?

(2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 352.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 124718829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).