7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide

C26H24N2O5 — CID 160978849

IUPAC7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
SMILESCOCCCC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(C(N)=O)cc34)ccc12
InChIInChI=1S/C26H24N2O5/c1-31-12-4-7-23(29)19-6-3-5-16-13-17(8-9-18(16)19)33-24-10-11-28-22-15-25(32-2)21(26(27)30)14-20(22)24/h3,5-6,8-11,13-15H,4,7,12H2,1-2H3,(H2,27,30)
InChIKeySZFYSMIXLORBFV-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.90
Rot. Bonds9

About 7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide

7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide (PubChem CID 160978849) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
PubChem CID160978849
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
SMILESCOCCCC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(C(N)=O)cc34)ccc12
InChIInChI=1S/C26H24N2O5/c1-31-12-4-7-23(29)19-6-3-5-16-13-17(8-9-18(16)19)33-24-10-11-28-22-15-25(32-2)21(26(27)30)14-20(22)24/h3,5-6,8-11,13-15H,4,7,12H2,1-2H3,(H2,27,30)
InChIKeySZFYSMIXLORBFV-UHFFFAOYSA-N
XLogP4.90
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 169101831
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 175933294
7-methoxy-4-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 169101843
N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 69446942
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxy-N-methylquinoline-6-carboxamide
CID 11316645
7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide
CID 142776497
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?
The IUPAC name of 7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide (CID 160978849) is 7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide.
What is the SMILES notation for 7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?
The canonical SMILES for 7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide is COCCCC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(C(N)=O)cc34)ccc12.
What is the InChIKey of 7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?
The InChIKey is SZFYSMIXLORBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-31-12-4-7-23(29)19-6-3-5-16-13-17(8-9-18(16)19)33-24-10-11-28-22-15-25(32-2)21(26(27)30)14-20(22)24/h3,5-6,8-11,13-15H,4,7,12H2,1-2H3,(H2,27,30).
What are the key properties of 7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?
7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide is sourced from PubChem (CID 160978849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).