methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate

C19H18N2O4 — CID 22936380

IUPACmethyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate
SMILESCOC(=O)c1cc2c(Oc3ccc(N)c(C)c3)ccnc2cc1OC
InChIInChI=1S/C19H18N2O4/c1-11-8-12(4-5-15(11)20)25-17-6-7-21-16-10-18(23-2)14(9-13(16)17)19(22)24-3/h4-10H,20H2,1-3H3
InChIKeyNWFLOXQCULEIJP-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.71
Rot. Bonds4

About methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate

methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate (PubChem CID 22936380) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate
PubChem CID22936380
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate
SMILESCOC(=O)c1cc2c(Oc3ccc(N)c(C)c3)ccnc2cc1OC
InChIInChI=1S/C19H18N2O4/c1-11-8-12(4-5-15(11)20)25-17-6-7-21-16-10-18(23-2)14(9-13(16)17)19(22)24-3/h4-10H,20H2,1-3H3
InChIKeyNWFLOXQCULEIJP-UHFFFAOYSA-N
XLogP3.71
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 141052127
[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
CID 68668429
methyl 4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxylate
CID 22936605
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
CID 89363479
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxylic acid;hydrochloride
CID 171394597
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
7-methoxy-4-(3-methoxyphenoxy)-N-methylquinoline-6-carboxamide
CID 69131598
4-[4-(cyclopropylcarbamoylamino)-3-methylphenoxy]-N,7-dimethoxyquinoline-6-carboxamide
CID 22936274
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate?
The IUPAC name of methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate (CID 22936380) is methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate.
What is the SMILES notation for methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate?
The canonical SMILES for methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate is COC(=O)c1cc2c(Oc3ccc(N)c(C)c3)ccnc2cc1OC.
What is the InChIKey of methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate?
The InChIKey is NWFLOXQCULEIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-8-12(4-5-15(11)20)25-17-6-7-21-16-10-18(23-2)14(9-13(16)17)19(22)24-3/h4-10H,20H2,1-3H3.
What are the key properties of methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate?
methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate is sourced from PubChem (CID 22936380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).