pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate

C18H16N2O3 — CID 18139891

IUPACpyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate
SMILESCOc1ccc2cc(C(=O)OCc3ccccn3)c(C)nc2c1
InChIInChI=1S/C18H16N2O3/c1-12-16(18(21)23-11-14-5-3-4-8-19-14)9-13-6-7-15(22-2)10-17(13)20-12/h3-10H,11H2,1-2H3
InChIKeyOFDAJEADKNEYHA-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.30
Rot. Bonds4

About pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate

pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate (PubChem CID 18139891) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate
PubChem CID18139891
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namepyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate
SMILESCOc1ccc2cc(C(=O)OCc3ccccn3)c(C)nc2c1
InChIInChI=1S/C18H16N2O3/c1-12-16(18(21)23-11-14-5-3-4-8-19-14)9-13-6-7-15(22-2)10-17(13)20-12/h3-10H,11H2,1-2H3
InChIKeyOFDAJEADKNEYHA-UHFFFAOYSA-N
XLogP3.30
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate
CID 18147585
pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate
CID 43008926
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
7-methoxy-2-methyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide
CID 47056292
pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate
CID 46562340
(1-oxo-1-phenylpropan-2-yl) 7-methoxy-2-methylquinoline-3-carboxylate
CID 42894703
(1-butyltetrazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate
CID 18123694
pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate
CID 60598324
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
pyridin-2-ylmethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 46391480
7-methoxy-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 78828928
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55471451

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate (CID 18139891) is pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate is COc1ccc2cc(C(=O)OCc3ccccn3)c(C)nc2c1.
What is the InChIKey of pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate?
The InChIKey is OFDAJEADKNEYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-16(18(21)23-11-14-5-3-4-8-19-14)9-13-6-7-15(22-2)10-17(13)20-12/h3-10H,11H2,1-2H3.
What are the key properties of pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate?
pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 18139891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).