4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide

C18H18N4O4 — CID 18886975

IUPAC4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide
SMILESCC(C)C1Nc2ccccc2C(=O)N1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N4O4/c1-11(2)16-19-15-6-4-3-5-14(15)18(24)21(16)20-17(23)12-7-9-13(10-8-12)22(25)26/h3-11,16,19H,1-2H3,(H,20,23)
InChIKeyQPXBXOJORXQWGJ-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.79
Rot. Bonds4

About 4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide

4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide (PubChem CID 18886975) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide
PubChem CID18886975
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide
SMILESCC(C)C1Nc2ccccc2C(=O)N1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N4O4/c1-11(2)16-19-15-6-4-3-5-14(15)18(24)21(16)20-17(23)12-7-9-13(10-8-12)22(25)26/h3-11,16,19H,1-2H3,(H,20,23)
InChIKeyQPXBXOJORXQWGJ-UHFFFAOYSA-N
XLogP2.79
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
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

N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide
CID 3537495
N-[2-(6-methyl-2-pyridinyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide
CID 3402653
N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)-2-phenoxypropanamide
CID 18887021
(2S)-3-[(2R)-butan-2-yl]-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012010
N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-nitrobenzamide
CID 23904747
N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide
CID 4574683
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-4-nitrobenzamide
CID 3956330
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
N-(9,10-dioxoanthracen-2-yl)-4-nitrobenzamide
CID 3422751
N-[(2R)-3-methylbutan-2-yl]-4-nitrobenzamide
CID 92515236
3-methyl-2-[(4-nitrobenzoyl)amino]butanoic acid
CID 3588676
(Z)-2-benzamido-3-(4-nitrophenyl)but-2-enoic acid
CID 819831

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide?
The IUPAC name of 4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide (CID 18886975) is 4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide.
What is the SMILES notation for 4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide?
The canonical SMILES for 4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide is CC(C)C1Nc2ccccc2C(=O)N1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide?
The InChIKey is QPXBXOJORXQWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11(2)16-19-15-6-4-3-5-14(15)18(24)21(16)20-17(23)12-7-9-13(10-8-12)22(25)26/h3-11,16,19H,1-2H3,(H,20,23).
What are the key properties of 4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide?
4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide has a molecular weight of 354.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)benzamide is sourced from PubChem (CID 18886975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).