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

C21H24N4OS — CID 70485101

IUPAC2-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(3-methyl-1,2-thiazol-5-yl)acetamide
SMILESCc1cc(C(C(N)=O)C2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)sn1
InChIInChI=1S/C21H24N4OS/c1-11-6-18(27-24-11)20(21(22)26)13-7-15-14-4-3-5-16-19(14)12(9-23-16)8-17(15)25(2)10-13/h3-6,9,13,15,17,20,23H,7-8,10H2,1-2H3,(H2,22,26)/t13?,15-,17-,20?/m1/s1
InChIKeyZSDZFYQNBPLHTA-BXUYSKSPSA-N
MW380.52 g/mol
LogP3.16
Rot. Bonds3

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

2-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(3-methyl-1,2-thiazol-5-yl)acetamide (PubChem CID 70485101) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(3-methyl-1,2-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(3-methyl-1,2-thiazol-5-yl)acetamide
PubChem CID70485101
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name2-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(3-methyl-1,2-thiazol-5-yl)acetamide
SMILESCc1cc(C(C(N)=O)C2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)sn1
InChIInChI=1S/C21H24N4OS/c1-11-6-18(27-24-11)20(21(22)26)13-7-15-14-4-3-5-16-19(14)12(9-23-16)8-17(15)25(2)10-13/h3-6,9,13,15,17,20,23H,7-8,10H2,1-2H3,(H2,22,26)/t13?,15-,17-,20?/m1/s1
InChIKeyZSDZFYQNBPLHTA-BXUYSKSPSA-N
XLogP3.16
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(3-methyl-1,2-thiazol-5-yl)acetamide?
The IUPAC name of 2-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(3-methyl-1,2-thiazol-5-yl)acetamide (CID 70485101) is 2-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(3-methyl-1,2-thiazol-5-yl)acetamide.
What is the SMILES notation for 2-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(3-methyl-1,2-thiazol-5-yl)acetamide?
The canonical SMILES for 2-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(3-methyl-1,2-thiazol-5-yl)acetamide is Cc1cc(C(C(N)=O)C2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)sn1.
What is the InChIKey of 2-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(3-methyl-1,2-thiazol-5-yl)acetamide?
The InChIKey is ZSDZFYQNBPLHTA-BXUYSKSPSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-11-6-18(27-24-11)20(21(22)26)13-7-15-14-4-3-5-16-19(14)12(9-23-16)8-17(15)25(2)10-13/h3-6,9,13,15,17,20,23H,7-8,10H2,1-2H3,(H2,22,26)/t13?,15-,17-,20?/m1/s1.
What are the key properties of 2-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(3-methyl-1,2-thiazol-5-yl)acetamide?
2-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(3-methyl-1,2-thiazol-5-yl)acetamide has a molecular weight of 380.52 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(3-methyl-1,2-thiazol-5-yl)acetamide is sourced from PubChem (CID 70485101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).