methyl 8-methoxycinnoline-6-carboxylate

C11H10N2O3 — CID 156872747

IUPACmethyl 8-methoxycinnoline-6-carboxylate
SMILESCOC(=O)c1cc(OC)c2nnccc2c1
InChIInChI=1S/C11H10N2O3/c1-15-9-6-8(11(14)16-2)5-7-3-4-12-13-10(7)9/h3-6H,1-2H3
InChIKeyACZHYJOTJPDSRL-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.42
Rot. Bonds2

About methyl 8-methoxycinnoline-6-carboxylate

methyl 8-methoxycinnoline-6-carboxylate (PubChem CID 156872747) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 8-methoxycinnoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-methoxycinnoline-6-carboxylate
PubChem CID156872747
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 8-methoxycinnoline-6-carboxylate
SMILESCOC(=O)c1cc(OC)c2nnccc2c1
InChIInChI=1S/C11H10N2O3/c1-15-9-6-8(11(14)16-2)5-7-3-4-12-13-10(7)9/h3-6H,1-2H3
InChIKeyACZHYJOTJPDSRL-UHFFFAOYSA-N
XLogP1.42
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-fluoro-8-methoxycinnoline-6-carboxylate
CID 156872839
methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate
CID 156872967
methyl 2-fluoro-8-methoxy-3-methylquinoline-6-carboxylate
CID 156896227
methyl 8-methoxy-4-methylquinoline-6-carboxylate
CID 71521814
methyl 7,8-dimethoxyquinoline-3-carboxylate
CID 166736815
methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate
CID 166783051
dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1355426
methyl 1-chloro-5-methoxyisoquinoline-7-carboxylate
CID 170744620
methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate
CID 170992828
methyl 3-ethyl-7-methoxybenzimidazole-5-carboxylate
CID 66649571
methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate
CID 73013849
methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate
CID 68701783

Frequently Asked Questions

What is the IUPAC name of methyl 8-methoxycinnoline-6-carboxylate?
The IUPAC name of methyl 8-methoxycinnoline-6-carboxylate (CID 156872747) is methyl 8-methoxycinnoline-6-carboxylate.
What is the SMILES notation for methyl 8-methoxycinnoline-6-carboxylate?
The canonical SMILES for methyl 8-methoxycinnoline-6-carboxylate is COC(=O)c1cc(OC)c2nnccc2c1.
What is the InChIKey of methyl 8-methoxycinnoline-6-carboxylate?
The InChIKey is ACZHYJOTJPDSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-15-9-6-8(11(14)16-2)5-7-3-4-12-13-10(7)9/h3-6H,1-2H3.
What are the key properties of methyl 8-methoxycinnoline-6-carboxylate?
methyl 8-methoxycinnoline-6-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methoxycinnoline-6-carboxylate is sourced from PubChem (CID 156872747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).