6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline

C22H17N3O5 — CID 68837215

IUPAC6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline
SMILESCOc1cc2c(Oc3ccc([N+](=O)[O-])cn3)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C22H17N3O5/c1-28-20-11-17-18(12-21(20)29-14-15-5-3-2-4-6-15)23-10-9-19(17)30-22-8-7-16(13-24-22)25(26)27/h2-13H,14H2,1H3
InChIKeyRDVUYSALUOMFBX-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.92
Rot. Bonds7

About 6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline

6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline (PubChem CID 68837215) has the molecular formula C22H17N3O5 and a molecular weight of 403.39 g/mol. Its IUPAC name is 6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline.

Molecular Properties

Compound Name6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline
PubChem CID68837215
Molecular FormulaC22H17N3O5
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline
SMILESCOc1cc2c(Oc3ccc([N+](=O)[O-])cn3)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C22H17N3O5/c1-28-20-11-17-18(12-21(20)29-14-15-5-3-2-4-6-15)23-10-9-19(17)30-22-8-7-16(13-24-22)25(26)27/h2-13H,14H2,1H3
InChIKeyRDVUYSALUOMFBX-UHFFFAOYSA-N
XLogP4.92
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
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 6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline with MolForge

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Related Compounds

azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455
4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447
6-methoxy-4-(2-methylquinolin-3-yl)oxy-7-phenylmethoxyquinoline
CID 23078517
2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine
CID 139349408
1-methoxy-4-nitro-2-phenylmethoxybenzene;4-methoxy-3-phenylmethoxyaniline
CID 159845208
benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid
CID 69271238
2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine
CID 67576981
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
(4-nitrophenyl)methyl 3-methoxy-4-phenylmethoxybenzoate
CID 2454256
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline?
The IUPAC name of 6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline (CID 68837215) is 6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline.
What is the SMILES notation for 6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline?
The canonical SMILES for 6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline is COc1cc2c(Oc3ccc([N+](=O)[O-])cn3)ccnc2cc1OCc1ccccc1.
What is the InChIKey of 6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline?
The InChIKey is RDVUYSALUOMFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O5/c1-28-20-11-17-18(12-21(20)29-14-15-5-3-2-4-6-15)23-10-9-19(17)30-22-8-7-16(13-24-22)25(26)27/h2-13H,14H2,1H3.
What are the key properties of 6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline?
6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline has a molecular weight of 403.39 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline is sourced from PubChem (CID 68837215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).