(2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one

C24H17N3O4 — CID 999793

IUPAC(2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1c1ccccc1
InChIInChI=1S/C24H17N3O4/c28-24-17-10-4-6-12-19(17)25-23(26(24)16-8-2-1-3-9-16)22-15-14-21(31-22)18-11-5-7-13-20(18)27(29)30/h1-15,23,25H/t23-/m1/s1
InChIKeyAJNDRRXAEWBDQT-HSZRJFAPSA-N
MW411.42 g/mol
LogP5.63
Rot. Bonds4

About (2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one

(2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 999793) has the molecular formula C24H17N3O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is (2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID999793
Molecular FormulaC24H17N3O4
Molecular Weight411.42 g/mol
Exact Mass411.12
IUPAC Name(2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1c1ccccc1
InChIInChI=1S/C24H17N3O4/c28-24-17-10-4-6-12-19(17)25-23(26(24)16-8-2-1-3-9-16)22-15-14-21(31-22)18-11-5-7-13-20(18)27(29)30/h1-15,23,25H/t23-/m1/s1
InChIKeyAJNDRRXAEWBDQT-HSZRJFAPSA-N
XLogP5.63
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(5-methylfuran-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006914
(2R)-2-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 9012114
(2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011901
(2R)-2-(4-chloro-3-nitrophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9011842
(3R,8aS)-3-[5-(2-nitrophenyl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 99607984
3-[5-(2-nitrophenyl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 102554284
(2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2094035
(2R)-3-(3-methylphenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011989
(2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 997735
(2R)-3-hydroxy-2-[5-(3-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 997738
(2R)-3-(4-fluorophenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one
CID 9011893
(2S)-2-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 34852320

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one (CID 999793) is (2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1c1ccccc1.
What is the InChIKey of (2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is AJNDRRXAEWBDQT-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H17N3O4/c28-24-17-10-4-6-12-19(17)25-23(26(24)16-8-2-1-3-9-16)22-15-14-21(31-22)18-11-5-7-13-20(18)27(29)30/h1-15,23,25H/t23-/m1/s1.
What are the key properties of (2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one?
(2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 411.42 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 999793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).