methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate

C19H18N2O3 — CID 159529266

IUPACmethyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(N)c(OCc3ccc(C)cc3)cc2c1
InChIInChI=1S/C19H18N2O3/c1-12-3-5-13(6-4-12)11-24-17-10-15-9-14(19(22)23-2)7-8-16(15)21-18(17)20/h3-10H,11H2,1-2H3,(H2,20,21)
InChIKeyMCTZHDWWXMOTRM-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.49
Rot. Bonds4

About methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate

methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate (PubChem CID 159529266) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate
PubChem CID159529266
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(N)c(OCc3ccc(C)cc3)cc2c1
InChIInChI=1S/C19H18N2O3/c1-12-3-5-13(6-4-12)11-24-17-10-15-9-14(19(22)23-2)7-8-16(15)21-18(17)20/h3-10H,11H2,1-2H3,(H2,20,21)
InChIKeyMCTZHDWWXMOTRM-UHFFFAOYSA-N
XLogP3.49
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
CID 43380178
methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
CID 43380184
methyl 3-amino-4-[(3,5-dimethylphenyl)methoxy]benzoate
CID 61029764
ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057337
methyl 4-amino-2-[(4-methylphenyl)methoxy]benzoate
CID 106955007
methyl 3-[(2-amino-6-fluoroquinolin-3-yl)oxymethyl]-4-pyrazol-1-ylbenzoate
CID 146639117
methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol
CID 158164435
methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate
CID 99965462
methyl 4-amino-3-[(3-methylphenyl)methoxy]benzoate
CID 43380191
methyl 4-amino-3-[(3,4-dichlorophenyl)methoxy]benzoate
CID 43380152
propyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057351
methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate?
The IUPAC name of methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate (CID 159529266) is methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate.
What is the SMILES notation for methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate?
The canonical SMILES for methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate is COC(=O)c1ccc2nc(N)c(OCc3ccc(C)cc3)cc2c1.
What is the InChIKey of methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate?
The InChIKey is MCTZHDWWXMOTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-3-5-13(6-4-12)11-24-17-10-15-9-14(19(22)23-2)7-8-16(15)21-18(17)20/h3-10H,11H2,1-2H3,(H2,20,21).
What are the key properties of methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate?
methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate is sourced from PubChem (CID 159529266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).