(2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate

C19H16Cl2N2O4 — CID 16578291

IUPAC(2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate
SMILESCOc1ccc2cc(COC(=O)c3cc(Cl)c(N)cc3OC)c(Cl)nc2c1
InChIInChI=1S/C19H16Cl2N2O4/c1-25-12-4-3-10-5-11(18(21)23-16(10)6-12)9-27-19(24)13-7-14(20)15(22)8-17(13)26-2/h3-8H,9,22H2,1-2H3
InChIKeyYWPWSUFSWVFZNJ-UHFFFAOYSA-N
MW407.25 g/mol
LogP4.50
Rot. Bonds5

About (2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate

(2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate (PubChem CID 16578291) has the molecular formula C19H16Cl2N2O4 and a molecular weight of 407.25 g/mol. Its IUPAC name is (2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name(2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate
PubChem CID16578291
Molecular FormulaC19H16Cl2N2O4
Molecular Weight407.25 g/mol
Exact Mass406.05
IUPAC Name(2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate
SMILESCOc1ccc2cc(COC(=O)c3cc(Cl)c(N)cc3OC)c(Cl)nc2c1
InChIInChI=1S/C19H16Cl2N2O4/c1-25-12-4-3-10-5-11(18(21)23-16(10)6-12)9-27-19(24)13-7-14(20)15(22)8-17(13)26-2/h3-8H,9,22H2,1-2H3
InChIKeyYWPWSUFSWVFZNJ-UHFFFAOYSA-N
XLogP4.50
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 7875123
(2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 16513072
(2-chloro-7-methoxyquinolin-3-yl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 32759626
(2-chloro-7-methoxyquinolin-3-yl)methyl 2-(4-acetylphenoxy)acetate
CID 30467920
(2-chloro-7-methoxyquinolin-3-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 40783456
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-amino-5-chloro-2-methoxybenzoate
CID 18147366
(2-chloro-7-methoxyquinolin-3-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530063
(2-chloro-7-methoxyquinolin-3-yl)methyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 16537404
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline
CID 54939655
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-amino-5-chloro-2-methoxybenzoate
CID 18127735
(2-chloroquinolin-3-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 40751210

Frequently Asked Questions

What is the IUPAC name of (2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate?
The IUPAC name of (2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate (CID 16578291) is (2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate.
What is the SMILES notation for (2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate?
The canonical SMILES for (2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate is COc1ccc2cc(COC(=O)c3cc(Cl)c(N)cc3OC)c(Cl)nc2c1.
What is the InChIKey of (2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate?
The InChIKey is YWPWSUFSWVFZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4/c1-25-12-4-3-10-5-11(18(21)23-16(10)6-12)9-27-19(24)13-7-14(20)15(22)8-17(13)26-2/h3-8H,9,22H2,1-2H3.
What are the key properties of (2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate?
(2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate has a molecular weight of 407.25 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate is sourced from PubChem (CID 16578291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).