N-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide

C24H26N6O5 — CID 55578336

IUPACN-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)CC1
InChIInChI=1S/C24H26N6O5/c1-2-17-5-3-4-6-20(17)26-22(31)14-27-9-11-28(12-10-27)23(32)15-29-16-25-21-13-18(30(34)35)7-8-19(21)24(29)33/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,26,31)
InChIKeyFATXJVAWMCFLQX-UHFFFAOYSA-N
MW478.51 g/mol
LogP1.65
Rot. Bonds7

About N-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 55578336) has the molecular formula C24H26N6O5 and a molecular weight of 478.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID55578336
Molecular FormulaC24H26N6O5
Molecular Weight478.51 g/mol
Exact Mass478.20
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)CC1
InChIInChI=1S/C24H26N6O5/c1-2-17-5-3-4-6-20(17)26-22(31)14-27-9-11-28(12-10-27)23(32)15-29-16-25-21-13-18(30(34)35)7-8-19(21)24(29)33/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,26,31)
InChIKeyFATXJVAWMCFLQX-UHFFFAOYSA-N
XLogP1.65
TPSA130.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2485179
N-(2-methoxy-5-nitrophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4034361
N-(2,6-dimethylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602357
N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465483
3-[2-(azocan-1-yl)-2-oxoethyl]-6-nitroquinazolin-4-one
CID 51215364
N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4826132
N-butyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 3933084
N-(4-methylsulfonylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465478
N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide
CID 55732995
N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 5131642
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55379185
N,N-dimethyl-4-[[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 55308132

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide (CID 55578336) is N-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is FATXJVAWMCFLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O5/c1-2-17-5-3-4-6-20(17)26-22(31)14-27-9-11-28(12-10-27)23(32)15-29-16-25-21-13-18(30(34)35)7-8-19(21)24(29)33/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,26,31).
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 478.51 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55578336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).