4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide

C19H18ClN3O3 — CID 89363479

IUPAC4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
SMILESCCNC(=O)c1cc2c(Oc3ccc(N)c(Cl)c3)ccnc2cc1OC
InChIInChI=1S/C19H18ClN3O3/c1-3-22-19(24)13-9-12-16(10-18(13)25-2)23-7-6-17(12)26-11-4-5-15(21)14(20)8-11/h4-10H,3,21H2,1-2H3,(H,22,24)
InChIKeyYNKQBINRRKOVEI-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.02
Rot. Bonds5

About 4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide

4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide (PubChem CID 89363479) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
PubChem CID89363479
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
SMILESCCNC(=O)c1cc2c(Oc3ccc(N)c(Cl)c3)ccnc2cc1OC
InChIInChI=1S/C19H18ClN3O3/c1-3-22-19(24)13-9-12-16(10-18(13)25-2)23-7-6-17(12)26-11-4-5-15(21)14(20)8-11/h4-10H,3,21H2,1-2H3,(H,22,24)
InChIKeyYNKQBINRRKOVEI-UHFFFAOYSA-N
XLogP4.02
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 89363640
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
4-[3-chloro-4-(ethylcarbamoylamino)phenoxy]-N-(2-cyanoethyl)-7-methoxyquinoline-6-carboxamide
CID 16718953
4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline
CID 89257165
4-[3-chloro-4-[[ethylamino(hydroxy)methyl]amino]phenoxy]-N,7-dimethoxyquinoline-6-carboxamide
CID 163479477
4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 141052127
methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate
CID 22936380
4-[4-(carbamothioylamino)-3-chlorophenoxy]-N-hydroxy-7-methoxyquinoline-6-carboxamide
CID 145166681
4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane
CID 145166636
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N-ethyl-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 22936717
4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide
CID 11612547
[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid
CID 155172684

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide (CID 89363479) is 4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide is CCNC(=O)c1cc2c(Oc3ccc(N)c(Cl)c3)ccnc2cc1OC.
What is the InChIKey of 4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide?
The InChIKey is YNKQBINRRKOVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-3-22-19(24)13-9-12-16(10-18(13)25-2)23-7-6-17(12)26-11-4-5-15(21)14(20)8-11/h4-10H,3,21H2,1-2H3,(H,22,24).
What are the key properties of 4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide?
4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 89363479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).