2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide

C26H26N4O2 — CID 117093336

IUPAC2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCN(C)c1cccc(Nc2cc(C(=O)NCCc3ccc(O)cc3)c3ccccc3n2)c1
InChIInChI=1S/C26H26N4O2/c1-30(2)20-7-5-6-19(16-20)28-25-17-23(22-8-3-4-9-24(22)29-25)26(32)27-15-14-18-10-12-21(31)13-11-18/h3-13,16-17,31H,14-15H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyXVBQASOWDTTWOS-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.72
Rot. Bonds7

About 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide

2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 117093336) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide
PubChem CID117093336
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCN(C)c1cccc(Nc2cc(C(=O)NCCc3ccc(O)cc3)c3ccccc3n2)c1
InChIInChI=1S/C26H26N4O2/c1-30(2)20-7-5-6-19(16-20)28-25-17-23(22-8-3-4-9-24(22)29-25)26(32)27-15-14-18-10-12-21(31)13-11-18/h3-13,16-17,31H,14-15H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyXVBQASOWDTTWOS-UHFFFAOYSA-N
XLogP4.72
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide (CID 117093336) is 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide is CN(C)c1cccc(Nc2cc(C(=O)NCCc3ccc(O)cc3)c3ccccc3n2)c1.
What is the InChIKey of 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is XVBQASOWDTTWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-30(2)20-7-5-6-19(16-20)28-25-17-23(22-8-3-4-9-24(22)29-25)26(32)27-15-14-18-10-12-21(31)13-11-18/h3-13,16-17,31H,14-15H2,1-2H3,(H,27,32)(H,28,29).
What are the key properties of 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide?
2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 117093336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).