2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide

C21H25N3O — CID 154480744

IUPAC2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)C[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C1CC1
InChIInChI=1S/C21H25N3O/c1-23-12-13(9-20(25)24(2)15-6-7-15)8-17-16-4-3-5-18-21(16)14(11-22-18)10-19(17)23/h3-5,8,11,13,15,19,22H,6-7,9-10,12H2,1-2H3/t13-,19+/m0/s1
InChIKeyBALQTAIXHXLZCT-ORAYPTAESA-N
MW335.45 g/mol
LogP3.05
Rot. Bonds3

About 2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide

2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide (PubChem CID 154480744) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide
PubChem CID154480744
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)C[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C1CC1
InChIInChI=1S/C21H25N3O/c1-23-12-13(9-20(25)24(2)15-6-7-15)8-17-16-4-3-5-18-21(16)14(11-22-18)10-19(17)23/h3-5,8,11,13,15,19,22H,6-7,9-10,12H2,1-2H3/t13-,19+/m0/s1
InChIKeyBALQTAIXHXLZCT-ORAYPTAESA-N
XLogP3.05
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide (CID 154480744) is 2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide is CN(C(=O)C[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C1CC1.
What is the InChIKey of 2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide?
The InChIKey is BALQTAIXHXLZCT-ORAYPTAESA-N. The full InChI is InChI=1S/C21H25N3O/c1-23-12-13(9-20(25)24(2)15-6-7-15)8-17-16-4-3-5-18-21(16)14(11-22-18)10-19(17)23/h3-5,8,11,13,15,19,22H,6-7,9-10,12H2,1-2H3/t13-,19+/m0/s1.
What are the key properties of 2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide?
2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide has a molecular weight of 335.45 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 154480744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).