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

C19H15N3O5 — CID 997735

IUPAC(2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2Nc3ccccc3C(=O)N2O)o1
InChIInChI=1S/C19H15N3O5/c1-11-10-12(22(25)26)6-7-13(11)16-8-9-17(27-16)18-20-15-5-3-2-4-14(15)19(23)21(18)24/h2-10,18,20,24H,1H3/t18-/m1/s1
InChIKeyRGOSQAVXTWDXKA-GOSISDBHSA-N
MW365.35 g/mol
LogP4.12
Rot. Bonds3

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

(2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one (PubChem CID 997735) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
PubChem CID997735
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name(2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2Nc3ccccc3C(=O)N2O)o1
InChIInChI=1S/C19H15N3O5/c1-11-10-12(22(25)26)6-7-13(11)16-8-9-17(27-16)18-20-15-5-3-2-4-14(15)19(23)21(18)24/h2-10,18,20,24H,1H3/t18-/m1/s1
InChIKeyRGOSQAVXTWDXKA-GOSISDBHSA-N
XLogP4.12
TPSA108.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-hydroxy-2-[5-(3-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 997738
3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 2872744
2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 4032556
(2R)-2-[5-(2-nitrophenyl)furan-2-yl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 999793
(2R)-2-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 9012114
5-acetyl-9,9-dimethyl-6-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 2879215
(5Z)-1-cyclohexyl-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1340621
6-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-3-pentylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
CID 45037500
(2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one
CID 51466277
(2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 842660
N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 91678218
6-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-3-methylsulfanyl-7-propanoyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-5-ium-1-one
CID 136939968

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one (CID 997735) is (2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one is Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2Nc3ccccc3C(=O)N2O)o1.
What is the InChIKey of (2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The InChIKey is RGOSQAVXTWDXKA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-11-10-12(22(25)26)6-7-13(11)16-8-9-17(27-16)18-20-15-5-3-2-4-14(15)19(23)21(18)24/h2-10,18,20,24H,1H3/t18-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
(2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one has a molecular weight of 365.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 997735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).