N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide

C19H15N3O3 — CID 940577

About N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide

N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide (PubChem CID 940577) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
• PubChem CID: 940577
• Molecular Formula: C19H15N3O3
• Molecular Weight: 333.35 g/mol
• Exact Mass: 333.11
• IUPAC Name: N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
• SMILES: O=C(Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O)c1ccco1
• InChI: InChI=1S/C19H15N3O3/c23-16-10-13(12-5-2-1-3-6-12)9-15-14(16)11-20-19(21-15)22-18(24)17-7-4-8-25-17/h1-8,11,13H,9-10H2,(H,20,21,22,24)/t13-/m0/s1
• InChIKey: DHBMPKKAIZRNLU-ZDUSSCGKSA-N
• XLogP: 3.23
• TPSA: 85.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.35
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide?

The IUPAC name of N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide (CID 940577) is N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide is O=C(Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O)c1ccco1.

What is the InChIKey of N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide?

The InChIKey is DHBMPKKAIZRNLU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-16-10-13(12-5-2-1-3-6-12)9-15-14(16)11-20-19(21-15)22-18(24)17-7-4-8-25-17/h1-8,11,13H,9-10H2,(H,20,21,22,24)/t13-/m0/s1.

What are the key properties of N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide?

N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 940577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).