N,N-diethylisoquinoline-5-carboxamide

C14H16N2O — CID 86202974

IUPACN,N-diethylisoquinoline-5-carboxamide
SMILESCCN(CC)C(=O)c1cccc2cnccc12
InChIInChI=1S/C14H16N2O/c1-3-16(4-2)14(17)13-7-5-6-11-10-15-9-8-12(11)13/h5-10H,3-4H2,1-2H3
InChIKeyGVZNMGAGOXGOKM-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.72
Rot. Bonds3

About N,N-diethylisoquinoline-5-carboxamide

N,N-diethylisoquinoline-5-carboxamide (PubChem CID 86202974) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N,N-diethylisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN,N-diethylisoquinoline-5-carboxamide
PubChem CID86202974
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN,N-diethylisoquinoline-5-carboxamide
SMILESCCN(CC)C(=O)c1cccc2cnccc12
InChIInChI=1S/C14H16N2O/c1-3-16(4-2)14(17)13-7-5-6-11-10-15-9-8-12(11)13/h5-10H,3-4H2,1-2H3
InChIKeyGVZNMGAGOXGOKM-UHFFFAOYSA-N
XLogP2.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethylisoquinoline-8-carboxamide
CID 110851851
1-isoquinolin-5-yl-2-methoxybutan-1-one
CID 116707361
1-isoquinolin-5-yl-2-methylsulfanylethanone
CID 62813335
N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide
CID 56861286
1-isoquinolin-5-yl-2-methylsulfonylethanone
CID 55119378
2-tert-butylsulfanyl-1-isoquinolin-5-ylethanone
CID 65133357
1-isoquinolin-5-yl-4-methylpentan-1-one
CID 62813326
3-[ethyl(isoquinoline-4-carbonyl)amino]propanoic acid
CID 120516852
N-[(E)-3-ethylhex-3-enyl]-N-methoxyisoquinoline-5-carboxamide
CID 174380611
4-hydroxy-1-isoquinolin-5-ylbutan-1-one
CID 106677466
3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one
CID 116566876
1-isoquinolin-5-yl-2-methylsulfonylpropan-1-one
CID 114970914

Frequently Asked Questions

What is the IUPAC name of N,N-diethylisoquinoline-5-carboxamide?
The IUPAC name of N,N-diethylisoquinoline-5-carboxamide (CID 86202974) is N,N-diethylisoquinoline-5-carboxamide.
What is the SMILES notation for N,N-diethylisoquinoline-5-carboxamide?
The canonical SMILES for N,N-diethylisoquinoline-5-carboxamide is CCN(CC)C(=O)c1cccc2cnccc12.
What is the InChIKey of N,N-diethylisoquinoline-5-carboxamide?
The InChIKey is GVZNMGAGOXGOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-16(4-2)14(17)13-7-5-6-11-10-15-9-8-12(11)13/h5-10H,3-4H2,1-2H3.
What are the key properties of N,N-diethylisoquinoline-5-carboxamide?
N,N-diethylisoquinoline-5-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylisoquinoline-5-carboxamide is sourced from PubChem (CID 86202974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).