methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate

C19H17NO3 — CID 166457894

IUPACmethyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2cc3ccccc3nc2OC)cc1
InChIInChI=1S/C19H17NO3/c1-22-18-16(12-15-5-3-4-6-17(15)20-18)11-13-7-9-14(10-8-13)19(21)23-2/h3-10,12H,11H2,1-2H3
InChIKeyRVYWBSILFVIZCY-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.62
Rot. Bonds4

About methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate

methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate (PubChem CID 166457894) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate
PubChem CID166457894
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namemethyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2cc3ccccc3nc2OC)cc1
InChIInChI=1S/C19H17NO3/c1-22-18-16(12-15-5-3-4-6-17(15)20-18)11-13-7-9-14(10-8-13)19(21)23-2/h3-10,12H,11H2,1-2H3
InChIKeyRVYWBSILFVIZCY-UHFFFAOYSA-N
XLogP3.62
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate
CID 22282550
3-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyquinoline
CID 166457860
methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate
CID 10543090
2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol
CID 158310859
2-amino-1-(2-methoxyquinolin-3-yl)ethanone
CID 90036655
tert-butyl N-[[3-chloro-5-[(2-methoxyquinolin-3-yl)methyl]-2-pyridinyl]methyl]carbamate
CID 166457915
2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline
CID 167959717
methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50953445
methyl 4-[(2,4-difluorophenyl)methyl]benzoate
CID 101156425
methyl phenazine-2-carboxylate
CID 617185
methyl 4-[(4-methylquinolin-2-yl)sulfanylmethyl]benzoate
CID 4543518
4-[(4-methoxycarbonylphenyl)methyl]benzene-1,3-dicarboxylic acid
CID 174445004

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate (CID 166457894) is methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate is COC(=O)c1ccc(Cc2cc3ccccc3nc2OC)cc1.
What is the InChIKey of methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate?
The InChIKey is RVYWBSILFVIZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-18-16(12-15-5-3-4-6-17(15)20-18)11-13-7-9-14(10-8-13)19(21)23-2/h3-10,12H,11H2,1-2H3.
What are the key properties of methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate?
methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate has a molecular weight of 307.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate is sourced from PubChem (CID 166457894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).