(6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C22H22F3N3O2S — CID 1005598

IUPAC(6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)C[C@H](C)CC4)cc1
InChIInChI=1S/C22H22F3N3O2S/c1-11-3-8-15-14(9-11)17(22(23,24)25)16-18(26)19(31-21(16)28-15)20(29)27-10-12-4-6-13(30-2)7-5-12/h4-7,11H,3,8-10,26H2,1-2H3,(H,27,29)/t11-/m1/s1
InChIKeyMMYLHZWHWHVHII-LLVKDONJSA-N
MW449.50 g/mol
LogP4.96
Rot. Bonds4

About (6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

(6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1005598) has the molecular formula C22H22F3N3O2S and a molecular weight of 449.50 g/mol. Its IUPAC name is (6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name(6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID1005598
Molecular FormulaC22H22F3N3O2S
Molecular Weight449.50 g/mol
Exact Mass449.14
IUPAC Name(6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)C[C@H](C)CC4)cc1
InChIInChI=1S/C22H22F3N3O2S/c1-11-3-8-15-14(9-11)17(22(23,24)25)16-18(26)19(31-21(16)28-15)20(29)27-10-12-4-6-13(30-2)7-5-12/h4-7,11H,3,8-10,26H2,1-2H3,(H,27,29)/t11-/m1/s1
InChIKeyMMYLHZWHWHVHII-LLVKDONJSA-N
XLogP4.96
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-amino-N-[(4-methoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 1005644
3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 5162276
3-amino-N-benzyl-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 69232830
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081
N-[(4-methoxyphenyl)methyl]-2-[[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 1460206
(6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1025352
4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668197
3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
CID 45142472
5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691524
3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 59854867
6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1301875
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713211

Frequently Asked Questions

What is the IUPAC name of (6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of (6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 1005598) is (6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for (6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for (6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is COc1ccc(CNC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)C[C@H](C)CC4)cc1.
What is the InChIKey of (6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is MMYLHZWHWHVHII-LLVKDONJSA-N. The full InChI is InChI=1S/C22H22F3N3O2S/c1-11-3-8-15-14(9-11)17(22(23,24)25)16-18(26)19(31-21(16)28-15)20(29)27-10-12-4-6-13(30-2)7-5-12/h4-7,11H,3,8-10,26H2,1-2H3,(H,27,29)/t11-/m1/s1.
What are the key properties of (6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
(6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 449.50 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-amino-N-[(4-methoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1005598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).