methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate

C21H17NO2 — CID 102442420

IUPACmethyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate
SMILESCOC(=O)C1=Cc2ccccc2N(c2cccc3ccccc23)C1
InChIInChI=1S/C21H17NO2/c1-24-21(23)17-13-16-8-3-5-11-19(16)22(14-17)20-12-6-9-15-7-2-4-10-18(15)20/h2-13H,14H2,1H3
InChIKeyDZAJNFKUYJLNQO-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.55
Rot. Bonds2

About methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate

methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate (PubChem CID 102442420) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate
PubChem CID102442420
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Namemethyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate
SMILESCOC(=O)C1=Cc2ccccc2N(c2cccc3ccccc23)C1
InChIInChI=1S/C21H17NO2/c1-24-21(23)17-13-16-8-3-5-11-19(16)22(14-17)20-12-6-9-15-7-2-4-10-18(15)20/h2-13H,14H2,1H3
InChIKeyDZAJNFKUYJLNQO-UHFFFAOYSA-N
XLogP4.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate?
The IUPAC name of methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate (CID 102442420) is methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate?
The canonical SMILES for methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate is COC(=O)C1=Cc2ccccc2N(c2cccc3ccccc23)C1.
What is the InChIKey of methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate?
The InChIKey is DZAJNFKUYJLNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-24-21(23)17-13-16-8-3-5-11-19(16)22(14-17)20-12-6-9-15-7-2-4-10-18(15)20/h2-13H,14H2,1H3.
What are the key properties of methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate?
methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate is sourced from PubChem (CID 102442420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).