N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide

C19H17N5O5 — CID 55308269

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)c1
InChIInChI=1S/C19H17N5O5/c1-11-3-6-15(12(2)7-11)21-19(27)22-17(25)9-23-10-20-16-8-13(24(28)29)4-5-14(16)18(23)26/h3-8,10H,9H2,1-2H3,(H2,21,22,25,27)
InChIKeyLKQOPOQWFFPLKI-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.27
Rot. Bonds4

About N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 55308269) has the molecular formula C19H17N5O5 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID55308269
Molecular FormulaC19H17N5O5
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)c1
InChIInChI=1S/C19H17N5O5/c1-11-3-6-15(12(2)7-11)21-19(27)22-17(25)9-23-10-20-16-8-13(24(28)29)4-5-14(16)18(23)26/h3-8,10H,9H2,1-2H3,(H2,21,22,25,27)
InChIKeyLKQOPOQWFFPLKI-UHFFFAOYSA-N
XLogP2.27
TPSA136.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
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-(tert-butylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 3527118
N-(2,6-dimethylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602357
N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2485179
N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4636840
N-(2-methoxy-5-nitrophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4034361
N-butyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 3933084
N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465483
N-(4-methylsulfonylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465478
N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 5131642
N,N-dimethyl-4-[[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 55308132
N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide
CID 3070678
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41051955

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (CID 55308269) is N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is Cc1ccc(NC(=O)NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is LKQOPOQWFFPLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O5/c1-11-3-6-15(12(2)7-11)21-19(27)22-17(25)9-23-10-20-16-8-13(24(28)29)4-5-14(16)18(23)26/h3-8,10H,9H2,1-2H3,(H2,21,22,25,27).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 395.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55308269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).