4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide

C28H36N4O4 — CID 69237492

IUPAC4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide
SMILESCCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCN(C(=O)C(C)C)C(C)C)cc12
InChIInChI=1S/C28H36N4O4/c1-7-19-10-8-9-11-22(19)31-26-20-14-25(36-13-12-32(18(4)5)28(34)17(2)3)24(35-6)15-23(20)30-16-21(26)27(29)33/h8-11,14-18H,7,12-13H2,1-6H3,(H2,29,33)(H,30,31)
InChIKeyHTTJAWKHBBKQQO-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.92
Rot. Bonds11

About 4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide

4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide (PubChem CID 69237492) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is 4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide
PubChem CID69237492
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC Name4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide
SMILESCCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCN(C(=O)C(C)C)C(C)C)cc12
InChIInChI=1S/C28H36N4O4/c1-7-19-10-8-9-11-22(19)31-26-20-14-25(36-13-12-32(18(4)5)28(34)17(2)3)24(35-6)15-23(20)30-16-21(26)27(29)33/h8-11,14-18H,7,12-13H2,1-6H3,(H2,29,33)(H,30,31)
InChIKeyHTTJAWKHBBKQQO-UHFFFAOYSA-N
XLogP4.92
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3-aminopropoxy)-4-(2-ethylanilino)-6-methoxyquinoline-3-carboxamide
CID 10178758
[3-carbamoyl-4-(2-ethylanilino)-7-methoxyquinolin-6-yl] propane-2-sulfonate
CID 86621016
4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide
CID 10222250
6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide
CID 22170186
4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide
CID 22170196
4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-[propan-2-yl(propan-2-ylcarbamoyl)amino]propoxy]quinoline-3-carboxamide
CID 69239443
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-acetamidoethoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-[acetyl(methyl)amino]ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-[acetyl(propan-2-yl)amino]ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;7-[3-[acetyl(propan-2-yl)amino]propoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide;4-[3-[[(1-aminocyclopentanecarbonyl)amino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide;4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-[2-methylpropanoyl(propan-2-yl)amino]propoxy]quinoline-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 173150713
4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide
CID 22170241
7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide
CID 22170229
4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide
CID 10114344

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide?
The IUPAC name of 4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide (CID 69237492) is 4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide.
What is the SMILES notation for 4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide?
The canonical SMILES for 4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide is CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCN(C(=O)C(C)C)C(C)C)cc12.
What is the InChIKey of 4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide?
The InChIKey is HTTJAWKHBBKQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-7-19-10-8-9-11-22(19)31-26-20-14-25(36-13-12-32(18(4)5)28(34)17(2)3)24(35-6)15-23(20)30-16-21(26)27(29)33/h8-11,14-18H,7,12-13H2,1-6H3,(H2,29,33)(H,30,31).
What are the key properties of 4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide?
4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 4.92, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide is sourced from PubChem (CID 69237492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).