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

C19H20N4OS — CID 88701423

IUPAC(6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1C[C@@H](C(=O)Nc2nccs2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C19H20N4OS/c1-23-10-12(18(24)22-19-20-5-6-25-19)7-14-13-3-2-4-15-17(13)11(9-21-15)8-16(14)23/h2-6,9,12,14,16,21H,7-8,10H2,1H3,(H,20,22,24)/t12-,14?,16+/m0/s1
InChIKeyFARIHHBFWQQJLW-RAAOQPIXSA-N
MW352.46 g/mol
LogP3.22
Rot. Bonds2

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

(6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 88701423) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is (6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID88701423
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name(6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1C[C@@H](C(=O)Nc2nccs2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C19H20N4OS/c1-23-10-12(18(24)22-19-20-5-6-25-19)7-14-13-3-2-4-15-17(13)11(9-21-15)8-16(14)23/h2-6,9,12,14,16,21H,7-8,10H2,1H3,(H,20,22,24)/t12-,14?,16+/m0/s1
InChIKeyFARIHHBFWQQJLW-RAAOQPIXSA-N
XLogP3.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951676
2-[(4-Methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143528
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143541
Indole-based 6-membered lactam, 3b
CID 44143545
Indole-based 6-membered lactam, 3e
CID 44143547
Indole-based 6-membered lactam, 4f
CID 44143552
N-[2-(dimethylamino)ethyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143540
2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2107455
2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2114820
N-(5-Cyclobutyl-thiazol-2-yl)-2-(1H-indol-3-yl)-acetamide
CID 9815202
(6aR,9R,10aR)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 44269117
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide
CID 53237781

Frequently Asked Questions

What is the IUPAC name of (6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 88701423) is (6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CN1C[C@@H](C(=O)Nc2nccs2)CC2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is FARIHHBFWQQJLW-RAAOQPIXSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-23-10-12(18(24)22-19-20-5-6-25-19)7-14-13-3-2-4-15-17(13)11(9-21-15)8-16(14)23/h2-6,9,12,14,16,21H,7-8,10H2,1H3,(H,20,22,24)/t12-,14?,16+/m0/s1.
What are the key properties of (6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 88701423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).