[(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone

C26H28N4O3S — CID 51729214

IUPAC[(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2nc(C(=O)N3c4ccccc4CC[C@H]3C(=O)N3CCN(C)CC3)cs2)cc1
InChIInChI=1S/C26H28N4O3S/c1-28-13-15-29(16-14-28)26(32)23-12-9-18-5-3-4-6-22(18)30(23)25(31)21-17-34-24(27-21)19-7-10-20(33-2)11-8-19/h3-8,10-11,17,23H,9,12-16H2,1-2H3/t23-/m0/s1
InChIKeyZPQZHEWDQOEWFD-QHCPKHFHSA-N
MW476.60 g/mol
LogP3.55
Rot. Bonds4

About [(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone

[(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 51729214) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is [(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID51729214
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name[(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2nc(C(=O)N3c4ccccc4CC[C@H]3C(=O)N3CCN(C)CC3)cs2)cc1
InChIInChI=1S/C26H28N4O3S/c1-28-13-15-29(16-14-28)26(32)23-12-9-18-5-3-4-6-22(18)30(23)25(31)21-17-34-24(27-21)19-7-10-20(33-2)11-8-19/h3-8,10-11,17,23H,9,12-16H2,1-2H3/t23-/m0/s1
InChIKeyZPQZHEWDQOEWFD-QHCPKHFHSA-N
XLogP3.55
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
(3-methoxyphenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 38047053
(3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 110882016
2-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 9488367
(3S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119112072
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119644862
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 25355761
[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 99696644
[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 138996013
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992454
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 46067858
4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126791529

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 51729214) is [(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(-c2nc(C(=O)N3c4ccccc4CC[C@H]3C(=O)N3CCN(C)CC3)cs2)cc1.
What is the InChIKey of [(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZPQZHEWDQOEWFD-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-28-13-15-29(16-14-28)26(32)23-12-9-18-5-3-4-6-22(18)30(23)25(31)21-17-34-24(27-21)19-7-10-20(33-2)11-8-19/h3-8,10-11,17,23H,9,12-16H2,1-2H3/t23-/m0/s1.
What are the key properties of [(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 476.60 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 51729214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).