2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide

C20H23N3OS — CID 154746149

IUPAC2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)N1CCSC(c2ccccc2)C1
InChIInChI=1S/C20H23N3OS/c24-20(22-17-8-9-18-16(13-17)7-4-10-21-18)23-11-12-25-19(14-23)15-5-2-1-3-6-15/h1-3,5-6,8-9,13,19,21H,4,7,10-12,14H2,(H,22,24)
InChIKeyWLTAABMOUDECTG-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.37
Rot. Bonds2

About 2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide

2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide (PubChem CID 154746149) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide
PubChem CID154746149
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)N1CCSC(c2ccccc2)C1
InChIInChI=1S/C20H23N3OS/c24-20(22-17-8-9-18-16(13-17)7-4-10-21-18)23-11-12-25-19(14-23)15-5-2-1-3-6-15/h1-3,5-6,8-9,13,19,21H,4,7,10-12,14H2,(H,22,24)
InChIKeyWLTAABMOUDECTG-UHFFFAOYSA-N
XLogP4.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-6-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 128762194
N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 119547205
3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide
CID 166249754
1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea
CID 62698159
N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide
CID 62633858
N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide
CID 64767021
N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119547336
2-(cyclopropylmethylamino)-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
CID 122080484
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylcyclopropane-1-carboxamide
CID 81485516
2-oxo-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 63283396
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboxamide
CID 63283038
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
CID 63282524

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide?
The IUPAC name of 2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide (CID 154746149) is 2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide is O=C(Nc1ccc2c(c1)CCCN2)N1CCSC(c2ccccc2)C1.
What is the InChIKey of 2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide?
The InChIKey is WLTAABMOUDECTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c24-20(22-17-8-9-18-16(13-17)7-4-10-21-18)23-11-12-25-19(14-23)15-5-2-1-3-6-15/h1-3,5-6,8-9,13,19,21H,4,7,10-12,14H2,(H,22,24).
What are the key properties of 2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide?
2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 154746149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).