(3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide

C20H19N3OS — CID 124734784

IUPAC(3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide
SMILESCN1C[C@H](C(=O)Nc2scnc2-c2ccccc2)Cc2ccccc21
InChIInChI=1S/C20H19N3OS/c1-23-12-16(11-15-9-5-6-10-17(15)23)19(24)22-20-18(21-13-25-20)14-7-3-2-4-8-14/h2-10,13,16H,11-12H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyMTQQKSFSIDTXPU-MRXNPFEDSA-N
MW349.46 g/mol
LogP4.06
Rot. Bonds3

About (3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide

(3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide (PubChem CID 124734784) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is (3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide
PubChem CID124734784
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name(3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide
SMILESCN1C[C@H](C(=O)Nc2scnc2-c2ccccc2)Cc2ccccc21
InChIInChI=1S/C20H19N3OS/c1-23-12-16(11-15-9-5-6-10-17(15)23)19(24)22-20-18(21-13-25-20)14-7-3-2-4-8-14/h2-10,13,16H,11-12H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyMTQQKSFSIDTXPU-MRXNPFEDSA-N
XLogP4.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide
CID 119043484
(3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide
CID 124739466
N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 71862202
(3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95298412
(4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 124527741
trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 119050510
1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 99840303
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 9351117
1-(2-ethylphenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55517163
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586390
2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide
CID 111537981
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide?
The IUPAC name of (3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide (CID 124734784) is (3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide.
What is the SMILES notation for (3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide?
The canonical SMILES for (3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide is CN1C[C@H](C(=O)Nc2scnc2-c2ccccc2)Cc2ccccc21.
What is the InChIKey of (3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide?
The InChIKey is MTQQKSFSIDTXPU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-23-12-16(11-15-9-5-6-10-17(15)23)19(24)22-20-18(21-13-25-20)14-7-3-2-4-8-14/h2-10,13,16H,11-12H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide?
(3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide is sourced from PubChem (CID 124734784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).