1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid

C15H18N2O2 — CID 43269013

IUPAC1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid
SMILESCCCN(CC)c1nc(C(=O)O)cc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-3-9-17(4-2)14-12-8-6-5-7-11(12)10-13(16-14)15(18)19/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyVXEKEXDARZZLTG-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.17
Rot. Bonds5

About 1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid

1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid (PubChem CID 43269013) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid
PubChem CID43269013
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid
SMILESCCCN(CC)c1nc(C(=O)O)cc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-3-9-17(4-2)14-12-8-6-5-7-11(12)10-13(16-14)15(18)19/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyVXEKEXDARZZLTG-UHFFFAOYSA-N
XLogP3.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclobutylmethyl(ethyl)amino]isoquinoline-3-carboxylic acid
CID 107399143
1-[butyl(methyl)amino]isoquinoline-3-carboxylic acid
CID 43166513
[1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol
CID 61255400
1-(dimethylamino)isoquinoline-3-carboxylic acid
CID 43166521
3-(chloromethyl)-N-ethyl-N-propylisoquinolin-1-amine
CID 61255556
4-(dipropylamino)quinoline-2-carboxylic acid
CID 63528337
1-[1-hydroxypropan-2-yl(methyl)amino]isoquinoline-3-carboxylic acid
CID 113426057
1-[2-(diethylamino)ethoxy]isoquinoline-3-carboxylic acid
CID 61102288
2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol
CID 61425106
3-(methylaminomethyl)-N,N-dipropylisoquinolin-1-amine
CID 62284936
2-[butyl(ethyl)amino]quinoline-3-carboxylic acid
CID 28952092
N-butyl-N-ethyl-3-(methylaminomethyl)isoquinolin-1-amine
CID 62286338

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid?
The IUPAC name of 1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid (CID 43269013) is 1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid is CCCN(CC)c1nc(C(=O)O)cc2ccccc12.
What is the InChIKey of 1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid?
The InChIKey is VXEKEXDARZZLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-9-17(4-2)14-12-8-6-5-7-11(12)10-13(16-14)15(18)19/h5-8,10H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid?
1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid is sourced from PubChem (CID 43269013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).