N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

C15H12N4O5 — CID 7227332

IUPACN-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NCc1ccco1
InChIInChI=1S/C15H12N4O5/c20-14(16-7-11-2-1-5-24-11)8-18-9-17-13-4-3-10(19(22)23)6-12(13)15(18)21/h1-6,9H,7-8H2,(H,16,20)
InChIKeySGOOCMMLKVJRHY-UHFFFAOYSA-N
MW328.28 g/mol
LogP1.21
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 7227332) has the molecular formula C15H12N4O5 and a molecular weight of 328.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID7227332
Molecular FormulaC15H12N4O5
Molecular Weight328.28 g/mol
Exact Mass328.08
IUPAC NameN-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NCc1ccco1
InChIInChI=1S/C15H12N4O5/c20-14(16-7-11-2-1-5-24-11)8-18-9-17-13-4-3-10(19(22)23)6-12(13)15(18)21/h1-6,9H,7-8H2,(H,16,20)
InChIKeySGOOCMMLKVJRHY-UHFFFAOYSA-N
XLogP1.21
TPSA120.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-butyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 9464587
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 40584529
2-(6-nitro-4-oxoquinazolin-3-yl)acetic acid
CID 2476040
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227243
N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227373
N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4826132
N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 51286317
N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7284295
N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84601847
ethyl N-[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]carbamate
CID 7227310
N-[(6-nitro-1,3-benzothiazol-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 118713610
3-(2-bromoprop-2-enyl)-6-nitroquinazolin-4-one
CID 52727110

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (CID 7227332) is N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SGOOCMMLKVJRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O5/c20-14(16-7-11-2-1-5-24-11)8-18-9-17-13-4-3-10(19(22)23)6-12(13)15(18)21/h1-6,9H,7-8H2,(H,16,20).
What are the key properties of N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 328.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 7227332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).