4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide

C26H34N4O4 — CID 22170241

IUPAC4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide
SMILESCCCNCCCOc1cc2ncc(C(N)=O)c(Nc3cccc(CO)c3CC)c2cc1OC
InChIInChI=1S/C26H34N4O4/c1-4-10-28-11-7-12-34-24-14-22-19(13-23(24)33-3)25(20(15-29-22)26(27)32)30-21-9-6-8-17(16-31)18(21)5-2/h6,8-9,13-15,28,31H,4-5,7,10-12,16H2,1-3H3,(H2,27,32)(H,29,30)
InChIKeyFOARBVITWKQDAJ-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.91
Rot. Bonds13

About 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide

4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide (PubChem CID 22170241) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide
PubChem CID22170241
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide
SMILESCCCNCCCOc1cc2ncc(C(N)=O)c(Nc3cccc(CO)c3CC)c2cc1OC
InChIInChI=1S/C26H34N4O4/c1-4-10-28-11-7-12-34-24-14-22-19(13-23(24)33-3)25(20(15-29-22)26(27)32)30-21-9-6-8-17(16-31)18(21)5-2/h6,8-9,13-15,28,31H,4-5,7,10-12,16H2,1-3H3,(H2,27,32)(H,29,30)
InChIKeyFOARBVITWKQDAJ-UHFFFAOYSA-N
XLogP3.91
TPSA118.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-[3-(diethylamino)propoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide
CID 22170238
7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide
CID 69238648
6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide
CID 22170186
4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-[propan-2-yl(propan-2-ylcarbamoyl)amino]propoxy]quinoline-3-carboxamide
CID 69239443
4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide
CID 10222250
7-(3-aminopropoxy)-4-(2-ethylanilino)-6-methoxyquinoline-3-carboxamide
CID 10178758
4-[2-ethyl-3-[[4-(hydroxymethyl)imidazol-1-yl]methyl]anilino]-6,7-dimethoxyquinoline-3-carboxamide
CID 11496318
6-[2-(2-cyanoethylamino)ethoxy]-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 87747051
4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide
CID 22170196
4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide
CID 10114344
4-[3-[[[(2S)-2-aminopentanoyl]amino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide
CID 69236334
4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide
CID 69237492

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide?
The IUPAC name of 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide (CID 22170241) is 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide.
What is the SMILES notation for 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide?
The canonical SMILES for 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide is CCCNCCCOc1cc2ncc(C(N)=O)c(Nc3cccc(CO)c3CC)c2cc1OC.
What is the InChIKey of 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide?
The InChIKey is FOARBVITWKQDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-4-10-28-11-7-12-34-24-14-22-19(13-23(24)33-3)25(20(15-29-22)26(27)32)30-21-9-6-8-17(16-31)18(21)5-2/h6,8-9,13-15,28,31H,4-5,7,10-12,16H2,1-3H3,(H2,27,32)(H,29,30).
What are the key properties of 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide?
4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 3.91, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide is sourced from PubChem (CID 22170241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).