N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C19H20ClFN2OS — CID 119274638

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCSc2ccc(F)cc21)C1Cc2ccccc2CN1
InChIInChI=1S/C19H19FN2OS.ClH/c20-14-5-6-18-15(10-14)16(7-8-24-18)22-19(23)17-9-12-3-1-2-4-13(12)11-21-17;/h1-6,10,16-17,21H,7-9,11H2,(H,22,23);1H
InChIKeyVXAFQJHDYMIQGN-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.62
Rot. Bonds2

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 119274638) has the molecular formula C19H20ClFN2OS and a molecular weight of 378.90 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID119274638
Molecular FormulaC19H20ClFN2OS
Molecular Weight378.90 g/mol
Exact Mass378.10
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCSc2ccc(F)cc21)C1Cc2ccccc2CN1
InChIInChI=1S/C19H19FN2OS.ClH/c20-14-5-6-18-15(10-14)16(7-8-24-18)22-19(23)17-9-12-3-1-2-4-13(12)11-21-17;/h1-6,10,16-17,21H,7-9,11H2,(H,22,23);1H
InChIKeyVXAFQJHDYMIQGN-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride with MolForge

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Related Compounds

(2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119695810
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(1S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
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N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
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N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
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N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
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2-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
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2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
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N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
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(1R,2R,4S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 119274638) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is Cl.O=C(NC1CCSc2ccc(F)cc21)C1Cc2ccccc2CN1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is VXAFQJHDYMIQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS.ClH/c20-14-5-6-18-15(10-14)16(7-8-24-18)22-19(23)17-9-12-3-1-2-4-13(12)11-21-17;/h1-6,10,16-17,21H,7-9,11H2,(H,22,23);1H.
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119274638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).