N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide

C27H26N2O5 — CID 46318861

IUPACN-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
SMILESCCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3cc(OC)ccc3OC)cc12
InChIInChI=1S/C27H26N2O5/c1-5-34-26-16-23(17-7-6-8-19(13-17)31-2)28-22-11-9-18(14-21(22)26)27(30)29-24-15-20(32-3)10-12-25(24)33-4/h6-16H,5H2,1-4H3,(H,29,30)
InChIKeyWFSHLRNXRAOFTL-UHFFFAOYSA-N
MW458.51 g/mol
LogP5.58
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide

N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide (PubChem CID 46318861) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
PubChem CID46318861
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC NameN-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
SMILESCCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3cc(OC)ccc3OC)cc12
InChIInChI=1S/C27H26N2O5/c1-5-34-26-16-23(17-7-6-8-19(13-17)31-2)28-22-11-9-18(14-21(22)26)27(30)29-24-15-20(32-3)10-12-25(24)33-4/h6-16H,5H2,1-4H3,(H,29,30)
InChIKeyWFSHLRNXRAOFTL-UHFFFAOYSA-N
XLogP5.58
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-(2-methoxy-5-methylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318892
4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318886
4-ethoxy-N,2-bis(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318881
N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318898
1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea
CID 46385044
4-ethoxy-N-(4-methylphenyl)-2-phenylquinoline-6-carboxamide
CID 46318814
N-(2,5-dimethoxyphenyl)-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298695
4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide
CID 46319060
4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319059
4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide
CID 46319037
ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate
CID 46298739
ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298722

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide (CID 46318861) is N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide is CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3cc(OC)ccc3OC)cc12.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide?
The InChIKey is WFSHLRNXRAOFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-5-34-26-16-23(17-7-6-8-19(13-17)31-2)28-22-11-9-18(14-21(22)26)27(30)29-24-15-20(32-3)10-12-25(24)33-4/h6-16H,5H2,1-4H3,(H,29,30).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide?
N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide has a molecular weight of 458.51 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide is sourced from PubChem (CID 46318861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).