6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide

C24H30N4O4 — CID 22170186

IUPAC6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide
SMILESCCc1c(CO)cccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCN(C)C)cc12
InChIInChI=1S/C24H30N4O4/c1-5-16-15(14-29)7-6-8-19(16)27-23-17-11-22(32-10-9-28(2)3)21(31-4)12-20(17)26-13-18(23)24(25)30/h6-8,11-13,29H,5,9-10,14H2,1-4H3,(H2,25,30)(H,26,27)
InChIKeyIMDCXBSZBWJWST-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.08
Rot. Bonds10

About 6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide

6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide (PubChem CID 22170186) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide
PubChem CID22170186
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide
SMILESCCc1c(CO)cccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCN(C)C)cc12
InChIInChI=1S/C24H30N4O4/c1-5-16-15(14-29)7-6-8-19(16)27-23-17-11-22(32-10-9-28(2)3)21(31-4)12-20(17)26-13-18(23)24(25)30/h6-8,11-13,29H,5,9-10,14H2,1-4H3,(H2,25,30)(H,26,27)
InChIKeyIMDCXBSZBWJWST-UHFFFAOYSA-N
XLogP3.08
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide with MolForge

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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
4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide
CID 22170241
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-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide
CID 69237492
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
4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide
CID 10222250
[3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol
CID 141057651
4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide
CID 10114344
4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide
CID 22170196
6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide
CID 10269479

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide (CID 22170186) is 6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide is CCc1c(CO)cccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCN(C)C)cc12.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide?
The InChIKey is IMDCXBSZBWJWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-5-16-15(14-29)7-6-8-19(16)27-23-17-11-22(32-10-9-28(2)3)21(31-4)12-20(17)26-13-18(23)24(25)30/h6-8,11-13,29H,5,9-10,14H2,1-4H3,(H2,25,30)(H,26,27).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide?
6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 3.08, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 22170186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).