(6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C20H22N4OS — CID 70485463

IUPAC(6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCc1cc(NC(=O)C2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)sn1
InChIInChI=1S/C20H22N4OS/c1-11-6-18(26-23-11)22-20(25)13-7-15-14-4-3-5-16-19(14)12(9-21-16)8-17(15)24(2)10-13/h3-6,9,13,15,17,21H,7-8,10H2,1-2H3,(H,22,25)/t13?,15-,17-/m1/s1
InChIKeyYFUOAHPOOWUAGM-RJPUVWTNSA-N
MW366.49 g/mol
LogP3.53
Rot. Bonds2

About (6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 70485463) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is (6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID70485463
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name(6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCc1cc(NC(=O)C2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)sn1
InChIInChI=1S/C20H22N4OS/c1-11-6-18(26-23-11)22-20(25)13-7-15-14-4-3-5-16-19(14)12(9-21-16)8-17(15)24(2)10-13/h3-6,9,13,15,17,21H,7-8,10H2,1-2H3,(H,22,25)/t13?,15-,17-/m1/s1
InChIKeyYFUOAHPOOWUAGM-RJPUVWTNSA-N
XLogP3.53
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 70485463) is (6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is Cc1cc(NC(=O)C2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)sn1.
What is the InChIKey of (6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is YFUOAHPOOWUAGM-RJPUVWTNSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-11-6-18(26-23-11)22-20(25)13-7-15-14-4-3-5-16-19(14)12(9-21-16)8-17(15)24(2)10-13/h3-6,9,13,15,17,21H,7-8,10H2,1-2H3,(H,22,25)/t13?,15-,17-/m1/s1.
What are the key properties of (6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 70485463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).