2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide

C18H16N4O4 — CID 4780518

IUPAC2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1ncnc2cc([N+](=O)[O-])ccc12)c1ccccc1
InChIInChI=1S/C18H16N4O4/c1-12(13-5-3-2-4-6-13)21-17(23)10-26-18-15-8-7-14(22(24)25)9-16(15)19-11-20-18/h2-9,11-12H,10H2,1H3,(H,21,23)
InChIKeyDHNNSMFJXPLJQL-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.79
Rot. Bonds6

About 2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide

2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide (PubChem CID 4780518) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide
PubChem CID4780518
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1ncnc2cc([N+](=O)[O-])ccc12)c1ccccc1
InChIInChI=1S/C18H16N4O4/c1-12(13-5-3-2-4-6-13)21-17(23)10-26-18-15-8-7-14(22(24)25)9-16(15)19-11-20-18/h2-9,11-12H,10H2,1H3,(H,21,23)
InChIKeyDHNNSMFJXPLJQL-UHFFFAOYSA-N
XLogP2.79
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
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'}

Analyze 2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-phenylethyl]-2-quinazolin-4-yloxyacetamide
CID 2392998
[2-oxo-2-(1-phenylethylamino)ethyl] 2-chloro-4-nitrobenzoate
CID 18073814
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-chloro-4-nitrobenzoate
CID 2616658
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7770587
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate
CID 7405666
2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
CID 2726136
2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
CID 18077327
methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate
CID 6407560
2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7991131
N-(1-phenylethyl)-2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-oxo-2-(1-phenylethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetamide
CID 5248080
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7866101
N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide
CID 4879244

Frequently Asked Questions

What is the IUPAC name of 2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide (CID 4780518) is 2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide is CC(NC(=O)COc1ncnc2cc([N+](=O)[O-])ccc12)c1ccccc1.
What is the InChIKey of 2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide?
The InChIKey is DHNNSMFJXPLJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-12(13-5-3-2-4-6-13)21-17(23)10-26-18-15-8-7-14(22(24)25)9-16(15)19-11-20-18/h2-9,11-12H,10H2,1H3,(H,21,23).
What are the key properties of 2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide?
2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide has a molecular weight of 352.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-nitroquinazolin-4-yl)oxy-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 4780518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).