7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline

C19H15N5O4 — CID 166450237

IUPAC7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline
SMILESCOc1ccccc1-n1cc(COc2cc3ncccc3cc2[N+](=O)[O-])nn1
InChIInChI=1S/C19H15N5O4/c1-27-18-7-3-2-6-16(18)23-11-14(21-22-23)12-28-19-10-15-13(5-4-8-20-15)9-17(19)24(25)26/h2-11H,12H2,1H3
InChIKeyRDELSEMMUYSHNL-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.31
Rot. Bonds6

About 7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline

7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline (PubChem CID 166450237) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is 7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline.

Molecular Properties

Compound Name7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline
PubChem CID166450237
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC Name7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline
SMILESCOc1ccccc1-n1cc(COc2cc3ncccc3cc2[N+](=O)[O-])nn1
InChIInChI=1S/C19H15N5O4/c1-27-18-7-3-2-6-16(18)23-11-14(21-22-23)12-28-19-10-15-13(5-4-8-20-15)9-17(19)24(25)26/h2-11H,12H2,1H3
InChIKeyRDELSEMMUYSHNL-UHFFFAOYSA-N
XLogP3.31
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
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'}

Analyze 7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline 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

6-nitro-7-[[1-(2-nitrophenyl)triazol-4-yl]methoxy]quinoline
CID 166450252
7-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-nitroquinoline
CID 166450205
4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole
CID 141447831
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole
CID 162656317
N-[2-[4-(naphthalen-1-yloxymethyl)triazol-1-yl]-4-nitrophenyl]acetamide
CID 167531304
3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 84695827
N-[2-[4-(naphthalen-1-yloxymethyl)triazol-1-yl]-3-nitrophenyl]acetamide
CID 167531306
4-[(5-fluoro-2-nitrophenoxy)methyl]-1-methyltriazole
CID 103866197
2-(2-methoxyphenyl)pyrazolo[3,4-b]pyridine
CID 70093839
3-[1-(2-methoxyphenyl)triazol-4-yl]-2-methylpropanoic acid
CID 117167556
2-(3,4-dimethoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 8648413
3-fluoro-2-[1-(2-methoxyphenyl)triazol-4-yl]pyridine
CID 166328992

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline?
The IUPAC name of 7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline (CID 166450237) is 7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline.
What is the SMILES notation for 7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline?
The canonical SMILES for 7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline is COc1ccccc1-n1cc(COc2cc3ncccc3cc2[N+](=O)[O-])nn1.
What is the InChIKey of 7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline?
The InChIKey is RDELSEMMUYSHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c1-27-18-7-3-2-6-16(18)23-11-14(21-22-23)12-28-19-10-15-13(5-4-8-20-15)9-17(19)24(25)26/h2-11H,12H2,1H3.
What are the key properties of 7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline?
7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline has a molecular weight of 377.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline is sourced from PubChem (CID 166450237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).