(2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide

C18H16N4O4S — CID 2370369

IUPAC(2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ncnc2ccccc12
InChIInChI=1S/C18H16N4O4S/c1-11(27-18-13-5-3-4-6-14(13)19-10-20-18)17(23)21-15-9-12(22(24)25)7-8-16(15)26-2/h3-11H,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyNDBXEBDSQNZJJS-LLVKDONJSA-N
MW384.42 g/mol
LogP3.67
Rot. Bonds6

About (2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide

(2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide (PubChem CID 2370369) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide
PubChem CID2370369
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC Name(2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ncnc2ccccc12
InChIInChI=1S/C18H16N4O4S/c1-11(27-18-13-5-3-4-6-14(13)19-10-20-18)17(23)21-15-9-12(22(24)25)7-8-16(15)26-2/h3-11H,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyNDBXEBDSQNZJJS-LLVKDONJSA-N
XLogP3.67
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.67
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'}

Analyze (2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide 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

(2R)-N-(2-chloro-4-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 7715762
(2R)-N-[4-nitro-2-(trifluoromethyl)phenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 41136768
N-(2-methoxy-5-nitrophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 18073888
N-(2-methoxy-5-nitrophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686154
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2586033
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 55363375
2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 24527884
N-(2-methoxy-5-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 4016198
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 4782041
N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 78761224
N-(2-methoxy-5-nitrophenyl)-2-(1-propan-2-ylimidazol-2-yl)sulfanylpropanamide
CID 17420061
(2S)-2-(4-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2665494

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide (CID 2370369) is (2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ncnc2ccccc12.
What is the InChIKey of (2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The InChIKey is NDBXEBDSQNZJJS-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16N4O4S/c1-11(27-18-13-5-3-4-6-14(13)19-10-20-18)17(23)21-15-9-12(22(24)25)7-8-16(15)26-2/h3-11H,1-2H3,(H,21,23)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide?
(2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide has a molecular weight of 384.42 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide is sourced from PubChem (CID 2370369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).