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

C24H26N4O4 — CID 69238648

IUPAC7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide
SMILESCCc1c(CO)cccc1Nc1c(C(N)=O)cnc2cc(OCCCC#N)c(OC)cc12
InChIInChI=1S/C24H26N4O4/c1-3-16-15(14-29)7-6-8-19(16)28-23-17-11-21(31-2)22(32-10-5-4-9-25)12-20(17)27-13-18(23)24(26)30/h6-8,11-13,29H,3-5,10,14H2,1-2H3,(H2,26,30)(H,27,28)
InChIKeyDMHSYOKLSHBDDI-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.82
Rot. Bonds10

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

7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide (PubChem CID 69238648) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide
PubChem CID69238648
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide
SMILESCCc1c(CO)cccc1Nc1c(C(N)=O)cnc2cc(OCCCC#N)c(OC)cc12
InChIInChI=1S/C24H26N4O4/c1-3-16-15(14-29)7-6-8-19(16)28-23-17-11-21(31-2)22(32-10-5-4-9-25)12-20(17)27-13-18(23)24(26)30/h6-8,11-13,29H,3-5,10,14H2,1-2H3,(H2,26,30)(H,27,28)
InChIKeyDMHSYOKLSHBDDI-UHFFFAOYSA-N
XLogP3.82
TPSA130.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.82
H-Bond Donors ≤ 53
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
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
4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-[propan-2-yl(propan-2-ylcarbamoyl)amino]propoxy]quinoline-3-carboxamide
CID 69239443
6-[2-(2-cyanoethylamino)ethoxy]-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 87747051
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
4-(2-ethylanilino)-7-methoxy-6-[2-[2-methylpropanoyl(propan-2-yl)amino]ethoxy]quinoline-3-carboxamide
CID 69237492
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-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide
CID 10114344

Frequently Asked Questions

What is the IUPAC name of 7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide?
The IUPAC name of 7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide (CID 69238648) is 7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide.
What is the SMILES notation for 7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide?
The canonical SMILES for 7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide is CCc1c(CO)cccc1Nc1c(C(N)=O)cnc2cc(OCCCC#N)c(OC)cc12.
What is the InChIKey of 7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide?
The InChIKey is DMHSYOKLSHBDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-3-16-15(14-29)7-6-8-19(16)28-23-17-11-21(31-2)22(32-10-5-4-9-25)12-20(17)27-13-18(23)24(26)30/h6-8,11-13,29H,3-5,10,14H2,1-2H3,(H2,26,30)(H,27,28).
What are the key properties of 7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide?
7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.82, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 69238648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).