1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide

C15H18N4O2 — CID 62156009

IUPAC1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cc2ccccc2c(N)n1
InChIInChI=1S/C15H18N4O2/c1-2-7-17-13(20)9-18-15(21)12-8-10-5-3-4-6-11(10)14(16)19-12/h3-6,8H,2,7,9H2,1H3,(H2,16,19)(H,17,20)(H,18,21)
InChIKeyOAHRTWBEOANJDL-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.07
Rot. Bonds5

About 1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide

1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide (PubChem CID 62156009) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide
PubChem CID62156009
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cc2ccccc2c(N)n1
InChIInChI=1S/C15H18N4O2/c1-2-7-17-13(20)9-18-15(21)12-8-10-5-3-4-6-11(10)14(16)19-12/h3-6,8H,2,7,9H2,1H3,(H2,16,19)(H,17,20)(H,18,21)
InChIKeyOAHRTWBEOANJDL-UHFFFAOYSA-N
XLogP1.07
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide
CID 43567471
1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide
CID 62160545
1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62171984
1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62155506
1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide
CID 55043674
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide
CID 55041878
N-ethyl-1-(propylamino)isoquinoline-3-carboxamide
CID 55042554
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] anthracene-9-carboxylate
CID 9231199
6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
CID 103879438
1-amino-N-butyl-N-(2-hydroxyethyl)isoquinoline-3-carboxamide
CID 62160551
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide
CID 62160626

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide?
The IUPAC name of 1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide (CID 62156009) is 1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide is CCCNC(=O)CNC(=O)c1cc2ccccc2c(N)n1.
What is the InChIKey of 1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide?
The InChIKey is OAHRTWBEOANJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-7-17-13(20)9-18-15(21)12-8-10-5-3-4-6-11(10)14(16)19-12/h3-6,8H,2,7,9H2,1H3,(H2,16,19)(H,17,20)(H,18,21).
What are the key properties of 1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide?
1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide is sourced from PubChem (CID 62156009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).