N-ethylisoquinoline-6-carboxamide

C12H12N2O — CID 110485080

IUPACN-ethylisoquinoline-6-carboxamide
SMILESCCNC(=O)c1ccc2cnccc2c1
InChIInChI=1S/C12H12N2O/c1-2-14-12(15)10-3-4-11-8-13-6-5-9(11)7-10/h3-8H,2H2,1H3,(H,14,15)
InChIKeyFKJYMPOUSCURLV-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.98
Rot. Bonds2

About N-ethylisoquinoline-6-carboxamide

N-ethylisoquinoline-6-carboxamide (PubChem CID 110485080) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-ethylisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-ethylisoquinoline-6-carboxamide
PubChem CID110485080
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-ethylisoquinoline-6-carboxamide
SMILESCCNC(=O)c1ccc2cnccc2c1
InChIInChI=1S/C12H12N2O/c1-2-14-12(15)10-3-4-11-8-13-6-5-9(11)7-10/h3-8H,2H2,1H3,(H,14,15)
InChIKeyFKJYMPOUSCURLV-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexylisoquinoline-6-carboxamide
CID 110485174
N-(3-hydroxypropyl)isoquinoline-6-carboxamide
CID 110485097
2-(isoquinoline-6-carbonylamino)butanoic acid
CID 110485108
N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide
CID 110485149
N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide
CID 110485103
N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide
CID 155966914
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164
N-cycloheptylisoquinoline-6-carboxamide
CID 110485190
N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
CID 110485085
isoquinoline-6-carboxamide;hydrochloride
CID 143697890
N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide
CID 22737877

Frequently Asked Questions

What is the IUPAC name of N-ethylisoquinoline-6-carboxamide?
The IUPAC name of N-ethylisoquinoline-6-carboxamide (CID 110485080) is N-ethylisoquinoline-6-carboxamide.
What is the SMILES notation for N-ethylisoquinoline-6-carboxamide?
The canonical SMILES for N-ethylisoquinoline-6-carboxamide is CCNC(=O)c1ccc2cnccc2c1.
What is the InChIKey of N-ethylisoquinoline-6-carboxamide?
The InChIKey is FKJYMPOUSCURLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-14-12(15)10-3-4-11-8-13-6-5-9(11)7-10/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of N-ethylisoquinoline-6-carboxamide?
N-ethylisoquinoline-6-carboxamide has a molecular weight of 200.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylisoquinoline-6-carboxamide is sourced from PubChem (CID 110485080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).