methyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate

C21H24N2O4 — CID 134839236

IUPACmethyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate
SMILESCOC(=O)c1cnc2c(c1)-c1cc(OC)cc(OC)c1C1(CCCCC1)N2
InChIInChI=1S/C21H24N2O4/c1-25-14-10-15-16-9-13(20(24)27-3)12-22-19(16)23-21(7-5-4-6-8-21)18(15)17(11-14)26-2/h9-12H,4-8H2,1-3H3,(H,22,23)
InChIKeyPHNJGHJGSAFGRE-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.14
Rot. Bonds3

About methyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate

methyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate (PubChem CID 134839236) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate.

Molecular Properties

Compound Namemethyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate
PubChem CID134839236
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namemethyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate
SMILESCOC(=O)c1cnc2c(c1)-c1cc(OC)cc(OC)c1C1(CCCCC1)N2
InChIInChI=1S/C21H24N2O4/c1-25-14-10-15-16-9-13(20(24)27-3)12-22-19(16)23-21(7-5-4-6-8-21)18(15)17(11-14)26-2/h9-12H,4-8H2,1-3H3,(H,22,23)
InChIKeyPHNJGHJGSAFGRE-UHFFFAOYSA-N
XLogP4.14
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate with MolForge

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Related Compounds

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methyl 3-[1-(aminomethyl)cyclopentyl]-4-hydroxy-5-methoxybenzoate
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methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate
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1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid
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1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid
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CID 8873673
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methyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate
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methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate
CID 146430139
methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 167714378

Frequently Asked Questions

What is the IUPAC name of methyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate?
The IUPAC name of methyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate (CID 134839236) is methyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate.
What is the SMILES notation for methyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate?
The canonical SMILES for methyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate is COC(=O)c1cnc2c(c1)-c1cc(OC)cc(OC)c1C1(CCCCC1)N2.
What is the InChIKey of methyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate?
The InChIKey is PHNJGHJGSAFGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-25-14-10-15-16-9-13(20(24)27-3)12-22-19(16)23-21(7-5-4-6-8-21)18(15)17(11-14)26-2/h9-12H,4-8H2,1-3H3,(H,22,23).
What are the key properties of methyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate?
methyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7,9-dimethoxyspiro[5H-benzo[c][1,8]naphthyridine-6,1'-cyclohexane]-2-carboxylate is sourced from PubChem (CID 134839236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).