naphthalen-1-yl 6-methoxyquinoline-2-carboxylate

C21H15NO3 — CID 24585728

IUPACnaphthalen-1-yl 6-methoxyquinoline-2-carboxylate
SMILESCOc1ccc2nc(C(=O)Oc3cccc4ccccc34)ccc2c1
InChIInChI=1S/C21H15NO3/c1-24-16-10-12-18-15(13-16)9-11-19(22-18)21(23)25-20-8-4-6-14-5-2-3-7-17(14)20/h2-13H,1H3
InChIKeyFDTNEFUSQLRWNR-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.62
Rot. Bonds3

About naphthalen-1-yl 6-methoxyquinoline-2-carboxylate

naphthalen-1-yl 6-methoxyquinoline-2-carboxylate (PubChem CID 24585728) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is naphthalen-1-yl 6-methoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-yl 6-methoxyquinoline-2-carboxylate
PubChem CID24585728
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Namenaphthalen-1-yl 6-methoxyquinoline-2-carboxylate
SMILESCOc1ccc2nc(C(=O)Oc3cccc4ccccc34)ccc2c1
InChIInChI=1S/C21H15NO3/c1-24-16-10-12-18-15(13-16)9-11-19(22-18)21(23)25-20-8-4-6-14-5-2-3-7-17(14)20/h2-13H,1H3
InChIKeyFDTNEFUSQLRWNR-UHFFFAOYSA-N
XLogP4.62
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate
CID 24586178
cyclohexyl 6-methoxyquinoline-2-carboxylate
CID 24585683
naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 97104194
(6-methoxynaphthalen-1-yl) acetate
CID 11424471
6-methoxy-2-naphthalen-1-ylquinoline
CID 164679227
3-O-naphthalen-1-yl 1-O-[7-[7-(3-naphthalen-1-yloxycarbonylbenzoyl)oxynaphthalen-2-yl]oxynaphthalen-2-yl] benzene-1,3-dicarboxylate
CID 176610546
methyl 6-acetyloxyquinoline-2-carboxylate
CID 90723488
naphthalen-1-yl 2-(4-methoxyphenoxy)acetate
CID 7913820
N-ethyl-N-(2-hydroxyethyl)-6-methoxyquinoline-2-carboxamide
CID 110886561
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylquinoline-2-carboxamide
CID 9482645
N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide
CID 33318425
(4-ethoxyphenyl) quinoline-2-carboxylate
CID 1231895

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 6-methoxyquinoline-2-carboxylate?
The IUPAC name of naphthalen-1-yl 6-methoxyquinoline-2-carboxylate (CID 24585728) is naphthalen-1-yl 6-methoxyquinoline-2-carboxylate.
What is the SMILES notation for naphthalen-1-yl 6-methoxyquinoline-2-carboxylate?
The canonical SMILES for naphthalen-1-yl 6-methoxyquinoline-2-carboxylate is COc1ccc2nc(C(=O)Oc3cccc4ccccc34)ccc2c1.
What is the InChIKey of naphthalen-1-yl 6-methoxyquinoline-2-carboxylate?
The InChIKey is FDTNEFUSQLRWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-24-16-10-12-18-15(13-16)9-11-19(22-18)21(23)25-20-8-4-6-14-5-2-3-7-17(14)20/h2-13H,1H3.
What are the key properties of naphthalen-1-yl 6-methoxyquinoline-2-carboxylate?
naphthalen-1-yl 6-methoxyquinoline-2-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 6-methoxyquinoline-2-carboxylate is sourced from PubChem (CID 24585728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).