(6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C24H25N3O — CID 172577893

IUPAC(6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN(C)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(Cc2ccccc2)C1
InChIInChI=1S/C24H25N3O/c1-26(2)24(28)18-11-20-19-9-6-10-21-23(19)17(13-25-21)12-22(20)27(15-18)14-16-7-4-3-5-8-16/h3-11,13,18,22,25H,12,14-15H2,1-2H3/t18-,22-/m1/s1
InChIKeySWDQGQYJXNKEQE-XMSQKQJNSA-N
MW371.48 g/mol
LogP3.70
Rot. Bonds3

About (6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 172577893) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is (6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID172577893
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name(6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN(C)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(Cc2ccccc2)C1
InChIInChI=1S/C24H25N3O/c1-26(2)24(28)18-11-20-19-9-6-10-21-23(19)17(13-25-21)12-22(20)27(15-18)14-16-7-4-3-5-8-16/h3-11,13,18,22,25H,12,14-15H2,1-2H3/t18-,22-/m1/s1
InChIKeySWDQGQYJXNKEQE-XMSQKQJNSA-N
XLogP3.70
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 172577893) is (6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CN(C)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(Cc2ccccc2)C1.
What is the InChIKey of (6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is SWDQGQYJXNKEQE-XMSQKQJNSA-N. The full InChI is InChI=1S/C24H25N3O/c1-26(2)24(28)18-11-20-19-9-6-10-21-23(19)17(13-25-21)12-22(20)27(15-18)14-16-7-4-3-5-8-16/h3-11,13,18,22,25H,12,14-15H2,1-2H3/t18-,22-/m1/s1.
What are the key properties of (6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 172577893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).