4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide

C22H26N4O3 — CID 10222250

IUPAC4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide
SMILESCCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCNC)cc12
InChIInChI=1S/C22H26N4O3/c1-4-14-7-5-6-8-17(14)26-21-15-11-20(29-10-9-24-2)19(28-3)12-18(15)25-13-16(21)22(23)27/h5-8,11-13,24H,4,9-10H2,1-3H3,(H2,23,27)(H,25,26)
InChIKeyCEMSXCMADIOASB-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.25
Rot. Bonds9

About 4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide

4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide (PubChem CID 10222250) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide
PubChem CID10222250
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide
SMILESCCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCNC)cc12
InChIInChI=1S/C22H26N4O3/c1-4-14-7-5-6-8-17(14)26-21-15-11-20(29-10-9-24-2)19(28-3)12-18(15)25-13-16(21)22(23)27/h5-8,11-13,24H,4,9-10H2,1-3H3,(H2,23,27)(H,25,26)
InChIKeyCEMSXCMADIOASB-UHFFFAOYSA-N
XLogP3.25
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.25
H-Bond Donors ≤ 53
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)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide
CID 22170196
[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
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
7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide
CID 22170229
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-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide
CID 10114344
3-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-2-methylbenzoic acid
CID 22170278
4-[3-(aminomethyl)-2-methylanilino]-6,7-diethoxyquinoline-3-carboxamide
CID 11581983

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide?
The IUPAC name of 4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide (CID 10222250) is 4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide.
What is the SMILES notation for 4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide?
The canonical SMILES for 4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide is CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCNC)cc12.
What is the InChIKey of 4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide?
The InChIKey is CEMSXCMADIOASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-14-7-5-6-8-17(14)26-21-15-11-20(29-10-9-24-2)19(28-3)12-18(15)25-13-16(21)22(23)27/h5-8,11-13,24H,4,9-10H2,1-3H3,(H2,23,27)(H,25,26).
What are the key properties of 4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide?
4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.25, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide is sourced from PubChem (CID 10222250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).