methyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate

C17H18N2O3 — CID 13044889

IUPACmethyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
SMILESCOC(=O)C1=CC2c3cccc4[nH]cc(c34)CC2N(OC)C1
InChIInChI=1S/C17H18N2O3/c1-21-17(20)11-6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19(9-11)22-2/h3-6,8,13,15,18H,7,9H2,1-2H3
InChIKeyYGWMHIMTKXHJQA-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.15
Rot. Bonds2

About methyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate

methyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate (PubChem CID 13044889) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
PubChem CID13044889
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
SMILESCOC(=O)C1=CC2c3cccc4[nH]cc(c34)CC2N(OC)C1
InChIInChI=1S/C17H18N2O3/c1-21-17(20)11-6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19(9-11)22-2/h3-6,8,13,15,18H,7,9H2,1-2H3
InChIKeyYGWMHIMTKXHJQA-UHFFFAOYSA-N
XLogP2.15
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate?
The IUPAC name of methyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate (CID 13044889) is methyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate.
What is the SMILES notation for methyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate?
The canonical SMILES for methyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate is COC(=O)C1=CC2c3cccc4[nH]cc(c34)CC2N(OC)C1.
What is the InChIKey of methyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate?
The InChIKey is YGWMHIMTKXHJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-21-17(20)11-6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19(9-11)22-2/h3-6,8,13,15,18H,7,9H2,1-2H3.
What are the key properties of methyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate?
methyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate is sourced from PubChem (CID 13044889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).