4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide

C26H32N4O3 — CID 22170196

IUPAC4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide
SMILESCCc1ccccc1Nc1c(C(N)=O)cnc2cc(OCCCN3CCCC3)c(OC)cc12
InChIInChI=1S/C26H32N4O3/c1-3-18-9-4-5-10-21(18)29-25-19-15-23(32-2)24(16-22(19)28-17-20(25)26(27)31)33-14-8-13-30-11-6-7-12-30/h4-5,9-10,15-17H,3,6-8,11-14H2,1-2H3,(H2,27,31)(H,28,29)
InChIKeyIDYYIULUPFANQM-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.51
Rot. Bonds10

About 4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide

4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide (PubChem CID 22170196) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide
PubChem CID22170196
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide
SMILESCCc1ccccc1Nc1c(C(N)=O)cnc2cc(OCCCN3CCCC3)c(OC)cc12
InChIInChI=1S/C26H32N4O3/c1-3-18-9-4-5-10-21(18)29-25-19-15-23(32-2)24(16-22(19)28-17-20(25)26(27)31)33-14-8-13-30-11-6-7-12-30/h4-5,9-10,15-17H,3,6-8,11-14H2,1-2H3,(H2,27,31)(H,28,29)
InChIKeyIDYYIULUPFANQM-UHFFFAOYSA-N
XLogP4.51
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(3-aminopropoxy)-4-(2-ethylanilino)-6-methoxyquinoline-3-carboxamide
CID 10178758
4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide
CID 10222250
[3-carbamoyl-4-(2-ethylanilino)-7-methoxyquinolin-6-yl] propane-2-sulfonate
CID 86621016
4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide
CID 69237492
7-[3-[(2S)-2,6-dimethylmorpholin-4-yl]propoxy]-4-[3-(hydroxymethyl)-2-methylanilino]-6-methoxyquinoline-3-carboxamide
CID 67550763
4-(3-chloro-4-fluoroanilino)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinoline-3-carboxamide
CID 44571099
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
4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide
CID 22170241
6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide
CID 22170186
6,7-diethoxy-4-[2-ethyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide
CID 174524743
4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-[propan-2-yl(propan-2-ylcarbamoyl)amino]propoxy]quinoline-3-carboxamide
CID 69239443

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide?
The IUPAC name of 4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide (CID 22170196) is 4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide?
The canonical SMILES for 4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide is CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OCCCN3CCCC3)c(OC)cc12.
What is the InChIKey of 4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide?
The InChIKey is IDYYIULUPFANQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-3-18-9-4-5-10-21(18)29-25-19-15-23(32-2)24(16-22(19)28-17-20(25)26(27)31)33-14-8-13-30-11-6-7-12-30/h4-5,9-10,15-17H,3,6-8,11-14H2,1-2H3,(H2,27,31)(H,28,29).
What are the key properties of 4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide?
4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide is sourced from PubChem (CID 22170196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).