methyl 3-quinolin-2-ylnaphthalene-1-carboxylate

C21H15NO2 — CID 141463959

IUPACmethyl 3-quinolin-2-ylnaphthalene-1-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3ccccc3n2)cc2ccccc12
InChIInChI=1S/C21H15NO2/c1-24-21(23)18-13-16(12-15-7-2-4-8-17(15)18)20-11-10-14-6-3-5-9-19(14)22-20/h2-13H,1H3
InChIKeyFACAOHQBDCZMST-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.84
Rot. Bonds2

About methyl 3-quinolin-2-ylnaphthalene-1-carboxylate

methyl 3-quinolin-2-ylnaphthalene-1-carboxylate (PubChem CID 141463959) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 3-quinolin-2-ylnaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-quinolin-2-ylnaphthalene-1-carboxylate
PubChem CID141463959
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Namemethyl 3-quinolin-2-ylnaphthalene-1-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3ccccc3n2)cc2ccccc12
InChIInChI=1S/C21H15NO2/c1-24-21(23)18-13-16(12-15-7-2-4-8-17(15)18)20-11-10-14-6-3-5-9-19(14)22-20/h2-13H,1H3
InChIKeyFACAOHQBDCZMST-UHFFFAOYSA-N
XLogP4.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline
CID 158944802
methyl 3-bromonaphthalene-1-carboxylate
CID 11311609
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
methyl acridine-1-carboxylate
CID 54560619
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
CID 91689285
methyl 3-methylsulfinylnaphthalene-1-carboxylate
CID 22622393
carbonic acid;2-(3,4-dimethoxyphenyl)quinoline
CID 70367637
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
CID 168525532
methyl 2-(4-isocyanatophenyl)quinoline-4-carboxylate
CID 169352943

Frequently Asked Questions

What is the IUPAC name of methyl 3-quinolin-2-ylnaphthalene-1-carboxylate?
The IUPAC name of methyl 3-quinolin-2-ylnaphthalene-1-carboxylate (CID 141463959) is methyl 3-quinolin-2-ylnaphthalene-1-carboxylate.
What is the SMILES notation for methyl 3-quinolin-2-ylnaphthalene-1-carboxylate?
The canonical SMILES for methyl 3-quinolin-2-ylnaphthalene-1-carboxylate is COC(=O)c1cc(-c2ccc3ccccc3n2)cc2ccccc12.
What is the InChIKey of methyl 3-quinolin-2-ylnaphthalene-1-carboxylate?
The InChIKey is FACAOHQBDCZMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c1-24-21(23)18-13-16(12-15-7-2-4-8-17(15)18)20-11-10-14-6-3-5-9-19(14)22-20/h2-13H,1H3.
What are the key properties of methyl 3-quinolin-2-ylnaphthalene-1-carboxylate?
methyl 3-quinolin-2-ylnaphthalene-1-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-quinolin-2-ylnaphthalene-1-carboxylate is sourced from PubChem (CID 141463959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).