N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide

C19H14N4O5 — CID 3537495

IUPACN-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide
SMILESO=C(NN1C(=O)c2ccccc2NC1c1ccoc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N4O5/c24-18(12-5-7-14(8-6-12)23(26)27)21-22-17(13-9-10-28-11-13)20-16-4-2-1-3-15(16)19(22)25/h1-11,17,20H,(H,21,24)
InChIKeyGZUVUPDJOMYFJQ-UHFFFAOYSA-N
MW378.34 g/mol
LogP3.10
Rot. Bonds4

About N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide

N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide (PubChem CID 3537495) has the molecular formula C19H14N4O5 and a molecular weight of 378.34 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide
PubChem CID3537495
Molecular FormulaC19H14N4O5
Molecular Weight378.34 g/mol
Exact Mass378.10
IUPAC NameN-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide
SMILESO=C(NN1C(=O)c2ccccc2NC1c1ccoc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N4O5/c24-18(12-5-7-14(8-6-12)23(26)27)21-22-17(13-9-10-28-11-13)20-16-4-2-1-3-15(16)19(22)25/h1-11,17,20H,(H,21,24)
InChIKeyGZUVUPDJOMYFJQ-UHFFFAOYSA-N
XLogP3.10
TPSA117.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[2-(6-methyl-2-pyridinyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide
CID 3402653
4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide
CID 18886975
N-[2-(4,5-dimethoxy-2-nitrophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 3577709
2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 19577722
N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide
CID 4574683
N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 4258553
(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012085
N-[(2R)-6-bromo-2-(2-hydroxy-5-nitrophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-phenylmethoxybenzamide
CID 7027450
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide
CID 18886863
3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 2872744
N-[(2S)-2-anthracen-9-yl-4-oxo-1,2-dihydroquinazolin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 1011037
(2S)-3-[(2R)-butan-2-yl]-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012010

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide?
The IUPAC name of N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide (CID 3537495) is N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide.
What is the SMILES notation for N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide?
The canonical SMILES for N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide is O=C(NN1C(=O)c2ccccc2NC1c1ccoc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide?
The InChIKey is GZUVUPDJOMYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O5/c24-18(12-5-7-14(8-6-12)23(26)27)21-22-17(13-9-10-28-11-13)20-16-4-2-1-3-15(16)19(22)25/h1-11,17,20H,(H,21,24).
What are the key properties of N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide?
N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide has a molecular weight of 378.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide is sourced from PubChem (CID 3537495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).