7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide

C21H15N3O5 — CID 169101863

IUPAC7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc([N+](=O)[O-])c4ccccc34)c2cc1C(N)=O
InChIInChI=1S/C21H15N3O5/c1-28-20-11-16-14(10-15(20)21(22)25)19(8-9-23-16)29-18-7-6-17(24(26)27)12-4-2-3-5-13(12)18/h2-11H,1H3,(H2,22,25)
InChIKeyYJQSPRCIDNFNEQ-UHFFFAOYSA-N
MW389.37 g/mol
LogP4.20
Rot. Bonds5

About 7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide

7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide (PubChem CID 169101863) has the molecular formula C21H15N3O5 and a molecular weight of 389.37 g/mol. Its IUPAC name is 7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide
PubChem CID169101863
Molecular FormulaC21H15N3O5
Molecular Weight389.37 g/mol
Exact Mass389.10
IUPAC Name7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc([N+](=O)[O-])c4ccccc34)c2cc1C(N)=O
InChIInChI=1S/C21H15N3O5/c1-28-20-11-16-14(10-15(20)21(22)25)19(8-9-23-16)29-18-7-6-17(24(26)27)12-4-2-3-5-13(12)18/h2-11H,1H3,(H2,22,25)
InChIKeyYJQSPRCIDNFNEQ-UHFFFAOYSA-N
XLogP4.20
TPSA117.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 54.20
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'}

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Related Compounds

4-(3-chloro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 134333908
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
CID 166095714
methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate
CID 66916355
4-(4-chloro-3-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 22936444
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
4-[3-chloro-4-(3-cyclopropyl-2-sulfanylidenepropyl)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 147640053
7-methoxy-4-[(5-nitroso-2-pyridinyl)oxy]quinoline-6-carboxamide
CID 88925808
4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 69373218
7-methoxy-4-[3-methoxy-5-(methylcarbamoyl)phenoxy]quinoline-6-carboxamide
CID 171763786
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936630

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide?
The IUPAC name of 7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide (CID 169101863) is 7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide.
What is the SMILES notation for 7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide?
The canonical SMILES for 7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc([N+](=O)[O-])c4ccccc34)c2cc1C(N)=O.
What is the InChIKey of 7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide?
The InChIKey is YJQSPRCIDNFNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O5/c1-28-20-11-16-14(10-15(20)21(22)25)19(8-9-23-16)29-18-7-6-17(24(26)27)12-4-2-3-5-13(12)18/h2-11H,1H3,(H2,22,25).
What are the key properties of 7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide?
7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide has a molecular weight of 389.37 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide is sourced from PubChem (CID 169101863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).