2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide

C26H25N3O3 — CID 4147575

IUPAC2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(Nc3ccccc3)nc3ccccc23)cc1OC
InChIInChI=1S/C26H25N3O3/c1-31-23-13-12-18(16-24(23)32-2)14-15-27-26(30)21-17-25(28-19-8-4-3-5-9-19)29-22-11-7-6-10-20(21)22/h3-13,16-17H,14-15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyUWZSNGIPSVLSRT-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.97
Rot. Bonds8

About 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide

2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 4147575) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
PubChem CID4147575
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(Nc3ccccc3)nc3ccccc23)cc1OC
InChIInChI=1S/C26H25N3O3/c1-31-23-13-12-18(16-24(23)32-2)14-15-27-26(30)21-17-25(28-19-8-4-3-5-9-19)29-22-11-7-6-10-20(21)22/h3-13,16-17H,14-15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyUWZSNGIPSVLSRT-UHFFFAOYSA-N
XLogP4.97
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide (CID 4147575) is 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide is COc1ccc(CCNC(=O)c2cc(Nc3ccccc3)nc3ccccc23)cc1OC.
What is the InChIKey of 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is UWZSNGIPSVLSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-31-23-13-12-18(16-24(23)32-2)14-15-27-26(30)21-17-25(28-19-8-4-3-5-9-19)29-22-11-7-6-10-20(21)22/h3-13,16-17H,14-15H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 4147575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).