N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride

C16H17ClN2O — CID 23333350

IUPACN-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)C1NCCc2ccccc21
InChIInChI=1S/C16H16N2O.ClH/c19-16(18-13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-17-15;/h1-9,15,17H,10-11H2,(H,18,19);1H
InChIKeySQQISWAWTWWFSU-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.93
Rot. Bonds2

About N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride

N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride (PubChem CID 23333350) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
PubChem CID23333350
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)C1NCCc2ccccc21
InChIInChI=1S/C16H16N2O.ClH/c19-16(18-13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-17-15;/h1-9,15,17H,10-11H2,(H,18,19);1H
InChIKeySQQISWAWTWWFSU-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107701348
N-(3-bromo-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107583487
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 86780202
methyl N-[[4-[[(1S)-1,2,3,4-tetrahydroisoquinoline-1-carbonyl]amino]phenyl]methyl]carbamate
CID 140654603
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
CID 173135216
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107852864
N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 106299027
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352
N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 103308291
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 65106578

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
The IUPAC name of N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride (CID 23333350) is N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride.
What is the SMILES notation for N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
The canonical SMILES for N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1)C1NCCc2ccccc21.
What is the InChIKey of N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
The InChIKey is SQQISWAWTWWFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O.ClH/c19-16(18-13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-17-15;/h1-9,15,17H,10-11H2,(H,18,19);1H.
What are the key properties of N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride is sourced from PubChem (CID 23333350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).