N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride

C20H23ClN2O — CID 162309751

IUPACN-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1C2CC3CC(C2)CC1C3)c1nccc2ccccc12
InChIInChI=1S/C20H22N2O.ClH/c23-20(19-17-4-2-1-3-14(17)5-6-21-19)22-18-15-8-12-7-13(10-15)11-16(18)9-12;/h1-6,12-13,15-16,18H,7-11H2,(H,22,23);1H
InChIKeyVGNJQIXXQKDBJJ-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.21
Rot. Bonds2

About N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride

N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride (PubChem CID 162309751) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride
PubChem CID162309751
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1C2CC3CC(C2)CC1C3)c1nccc2ccccc12
InChIInChI=1S/C20H22N2O.ClH/c23-20(19-17-4-2-1-3-14(17)5-6-21-19)22-18-15-8-12-7-13(10-15)11-16(18)9-12;/h1-6,12-13,15-16,18H,7-11H2,(H,22,23);1H
InChIKeyVGNJQIXXQKDBJJ-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-adamantyl)isoquinoline-1-carboxamide
CID 59799646
N-[2-(aminomethyl)cyclohexyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119610583
N-cyanoisoquinoline-1-carboxamide
CID 79195408
N-(cyclohexylmethyl)isoquinoline-1-carboxamide
CID 1438626
N-tert-butylisoquinoline-1-carboxamide
CID 62046176
isoquinoline-1-carboxamide;hydrochloride
CID 57458906
N-(2-chloro-5-fluoro-4-methylidenecyclohexyl)isoquinoline-1-carboxamide
CID 91048156
N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride
CID 162171577
N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114325830
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
CID 166286123
N-(2-adamantyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 25371189
N-(2-adamantyl)-2-aminobenzamide
CID 61214981

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride (CID 162309751) is N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride is Cl.O=C(NC1C2CC3CC(C2)CC1C3)c1nccc2ccccc12.
What is the InChIKey of N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride?
The InChIKey is VGNJQIXXQKDBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.ClH/c23-20(19-17-4-2-1-3-14(17)5-6-21-19)22-18-15-8-12-7-13(10-15)11-16(18)9-12;/h1-6,12-13,15-16,18H,7-11H2,(H,22,23);1H.
What are the key properties of N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride?
N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride is sourced from PubChem (CID 162309751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).