[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone

C21H20N2OS — CID 713549

IUPAC[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
SMILESC[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccs1
InChIInChI=1S/C21H20N2OS/c1-15-14-18(22-16-8-3-2-4-9-16)17-10-5-6-11-19(17)23(15)21(24)20-12-7-13-25-20/h2-13,15,18,22H,14H2,1H3/t15-,18-/m1/s1
InChIKeyUHMIRDSPQBODCP-CRAIPNDOSA-N
MW348.47 g/mol
LogP5.34
Rot. Bonds3

About [(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone

[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone (PubChem CID 713549) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is [(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
PubChem CID713549
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
SMILESC[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccs1
InChIInChI=1S/C21H20N2OS/c1-15-14-18(22-16-8-3-2-4-9-16)17-10-5-6-11-19(17)23(15)21(24)20-12-7-13-25-20/h2-13,15,18,22H,14H2,1H3/t15-,18-/m1/s1
InChIKeyUHMIRDSPQBODCP-CRAIPNDOSA-N
XLogP5.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-thiophen-2-ylethanone
CID 7381090
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-bromophenyl)methanone
CID 2843974
[(2S,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone
CID 1048856
1-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 695224
1-adamantyl-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 29056322
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634
2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 142882807
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114765
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 584780
[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114767
4-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanoate
CID 7283388
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-3-nitrophenyl)methanone
CID 3117899

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone (CID 713549) is [(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone is C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccs1.
What is the InChIKey of [(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is UHMIRDSPQBODCP-CRAIPNDOSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-15-14-18(22-16-8-3-2-4-9-16)17-10-5-6-11-19(17)23(15)21(24)20-12-7-13-25-20/h2-13,15,18,22H,14H2,1H3/t15-,18-/m1/s1.
What are the key properties of [(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone?
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 348.47 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 713549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).