methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate

C19H17NO2 — CID 22282550

IUPACmethyl 4-[(2-methylquinolin-4-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H17NO2/c1-13-11-16(17-5-3-4-6-18(17)20-13)12-14-7-9-15(10-8-14)19(21)22-2/h3-11H,12H2,1-2H3
InChIKeyDBXHNBZPOOEBFE-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.92
Rot. Bonds3

About methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate

methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate (PubChem CID 22282550) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methylquinolin-4-yl)methyl]benzoate
PubChem CID22282550
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Namemethyl 4-[(2-methylquinolin-4-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H17NO2/c1-13-11-16(17-5-3-4-6-18(17)20-13)12-14-7-9-15(10-8-14)19(21)22-2/h3-11H,12H2,1-2H3
InChIKeyDBXHNBZPOOEBFE-UHFFFAOYSA-N
XLogP3.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate
CID 10543090
methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate
CID 166457894
methyl 4-[(4-methylquinolin-2-yl)sulfanylmethyl]benzoate
CID 4543518
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid
CID 170984795
methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate
CID 71844832
1-O-tert-butyl 3-O-methyl (3S,4S)-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]pyrrolidine-1,3-dicarboxylate
CID 154057596
methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
2-[(4-methoxycarbonylphenyl)methyl]-4-methylbenzoic acid
CID 20510711
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate (CID 22282550) is methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate is COC(=O)c1ccc(Cc2cc(C)nc3ccccc23)cc1.
What is the InChIKey of methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate?
The InChIKey is DBXHNBZPOOEBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13-11-16(17-5-3-4-6-18(17)20-13)12-14-7-9-15(10-8-14)19(21)22-2/h3-11H,12H2,1-2H3.
What are the key properties of methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate?
methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate has a molecular weight of 291.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate is sourced from PubChem (CID 22282550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).