methyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate

C18H20N2O3 — CID 44570488

IUPACmethyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate
SMILESCOC(=O)c1cc2c(cn1)CCN1CC=C3C=C[C@H](OC)C[C@]321
InChIInChI=1S/C18H20N2O3/c1-22-14-4-3-13-6-8-20-7-5-12-11-19-16(17(21)23-2)9-15(12)18(13,20)10-14/h3-4,6,9,11,14H,5,7-8,10H2,1-2H3/t14-,18-/m0/s1
InChIKeyKCJQBANVNQOQJT-KSSFIOAISA-N
MW312.37 g/mol
LogP1.84
Rot. Bonds2

About methyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate

methyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate (PubChem CID 44570488) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate.

Molecular Properties

Compound Namemethyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate
PubChem CID44570488
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate
SMILESCOC(=O)c1cc2c(cn1)CCN1CC=C3C=C[C@H](OC)C[C@]321
InChIInChI=1S/C18H20N2O3/c1-22-14-4-3-13-6-8-20-7-5-12-11-19-16(17(21)23-2)9-15(12)18(13,20)10-14/h3-4,6,9,11,14H,5,7-8,10H2,1-2H3/t14-,18-/m0/s1
InChIKeyKCJQBANVNQOQJT-KSSFIOAISA-N
XLogP1.84
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate?
The IUPAC name of methyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate (CID 44570488) is methyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate.
What is the SMILES notation for methyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate?
The canonical SMILES for methyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate is COC(=O)c1cc2c(cn1)CCN1CC=C3C=C[C@H](OC)C[C@]321.
What is the InChIKey of methyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate?
The InChIKey is KCJQBANVNQOQJT-KSSFIOAISA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-14-4-3-13-6-8-20-7-5-12-11-19-16(17(21)23-2)9-15(12)18(13,20)10-14/h3-4,6,9,11,14H,5,7-8,10H2,1-2H3/t14-,18-/m0/s1.
What are the key properties of methyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate?
methyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a][2,6]naphthyridine-12-carboxylate is sourced from PubChem (CID 44570488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).