N-ethyl-1-(propylamino)isoquinoline-3-carboxamide

C15H19N3O — CID 55042554

IUPACN-ethyl-1-(propylamino)isoquinoline-3-carboxamide
SMILESCCCNc1nc(C(=O)NCC)cc2ccccc12
InChIInChI=1S/C15H19N3O/c1-3-9-17-14-12-8-6-5-7-11(12)10-13(18-14)15(19)16-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHBSJNQQPWFKBKF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.81
Rot. Bonds5

About N-ethyl-1-(propylamino)isoquinoline-3-carboxamide

N-ethyl-1-(propylamino)isoquinoline-3-carboxamide (PubChem CID 55042554) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-ethyl-1-(propylamino)isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(propylamino)isoquinoline-3-carboxamide
PubChem CID55042554
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-ethyl-1-(propylamino)isoquinoline-3-carboxamide
SMILESCCCNc1nc(C(=O)NCC)cc2ccccc12
InChIInChI=1S/C15H19N3O/c1-3-9-17-14-12-8-6-5-7-11(12)10-13(18-14)15(19)16-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHBSJNQQPWFKBKF-UHFFFAOYSA-N
XLogP2.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-1-(propylamino)isoquinoline-3-carboxamide
CID 62172724
N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide
CID 62171251
1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62171984
1-(propylamino)isoquinoline-3-carboxamide
CID 62167037
1-(ethylamino)-N-(3-methylsulfanylpropyl)isoquinoline-3-carboxamide
CID 63964008
N-(2,2-difluoroethyl)-1-(ethylamino)isoquinoline-3-carboxamide
CID 115408648
N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide
CID 62173096
N-(2,2-dimethylbutyl)-1-(methylamino)isoquinoline-3-carboxamide
CID 103464570
N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide
CID 62249892
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-3-carboxamide
CID 62337215
1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62243238
1-chloro-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide
CID 43567471

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(propylamino)isoquinoline-3-carboxamide?
The IUPAC name of N-ethyl-1-(propylamino)isoquinoline-3-carboxamide (CID 55042554) is N-ethyl-1-(propylamino)isoquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(propylamino)isoquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-1-(propylamino)isoquinoline-3-carboxamide is CCCNc1nc(C(=O)NCC)cc2ccccc12.
What is the InChIKey of N-ethyl-1-(propylamino)isoquinoline-3-carboxamide?
The InChIKey is HBSJNQQPWFKBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-9-17-14-12-8-6-5-7-11(12)10-13(18-14)15(19)16-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-ethyl-1-(propylamino)isoquinoline-3-carboxamide?
N-ethyl-1-(propylamino)isoquinoline-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(propylamino)isoquinoline-3-carboxamide is sourced from PubChem (CID 55042554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).