N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C16H23ClN2O2 — CID 71895287

IUPACN-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1Cc2ccccc2CN1)C1CCCO1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-11(15-7-4-8-20-15)18-16(19)14-9-12-5-2-3-6-13(12)10-17-14;/h2-3,5-6,11,14-15,17H,4,7-10H2,1H3,(H,18,19);1H
InChIKeyHATLAHDKZBWCQQ-UHFFFAOYSA-N
MW310.82 g/mol
LogP1.81
Rot. Bonds3

About N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 71895287) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID71895287
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1Cc2ccccc2CN1)C1CCCO1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-11(15-7-4-8-20-15)18-16(19)14-9-12-5-2-3-6-13(12)10-17-14;/h2-3,5-6,11,14-15,17H,4,7-10H2,1H3,(H,18,19);1H
InChIKeyHATLAHDKZBWCQQ-UHFFFAOYSA-N
XLogP1.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279812
N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62407046
N-[1-(oxolan-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292164
(3S)-N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44667214
3-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 61157694
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154225
(3S)-N-(1-hydroxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896123
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
3-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 61162351
(3S)-N-[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 56663413
(3S)-N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896569
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 71895287) is N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is CC(NC(=O)C1Cc2ccccc2CN1)C1CCCO1.Cl.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is HATLAHDKZBWCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-11(15-7-4-8-20-15)18-16(19)14-9-12-5-2-3-6-13(12)10-17-14;/h2-3,5-6,11,14-15,17H,4,7-10H2,1H3,(H,18,19);1H.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 71895287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).