1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide

C14H15N3O2 — CID 80715100

IUPAC1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide
SMILESNc1nc(C(=O)NC2CCOC2)cc2ccccc12
InChIInChI=1S/C14H15N3O2/c15-13-11-4-2-1-3-9(11)7-12(17-13)14(18)16-10-5-6-19-8-10/h1-4,7,10H,5-6,8H2,(H2,15,17)(H,16,18)
InChIKeyXINHAOLPSOLWSQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.34
Rot. Bonds2

About 1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide

1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide (PubChem CID 80715100) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide
PubChem CID80715100
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide
SMILESNc1nc(C(=O)NC2CCOC2)cc2ccccc12
InChIInChI=1S/C14H15N3O2/c15-13-11-4-2-1-3-9(11)7-12(17-13)14(18)16-10-5-6-19-8-10/h1-4,7,10H,5-6,8H2,(H2,15,17)(H,16,18)
InChIKeyXINHAOLPSOLWSQ-UHFFFAOYSA-N
XLogP1.34
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide
CID 82743415
1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide
CID 106197820
2-hydrazinyl-N-(oxolan-3-yl)quinoline-4-carboxamide
CID 80714740
1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide
CID 55041878
6-(methylamino)-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 80715956
N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 80713032
2-amino-N-[(3S)-oxolan-3-yl]pyridine-4-carboxamide
CID 121352227
1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62155506
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444
5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide
CID 118356988

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide?
The IUPAC name of 1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide (CID 80715100) is 1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide is Nc1nc(C(=O)NC2CCOC2)cc2ccccc12.
What is the InChIKey of 1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide?
The InChIKey is XINHAOLPSOLWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-13-11-4-2-1-3-9(11)7-12(17-13)14(18)16-10-5-6-19-8-10/h1-4,7,10H,5-6,8H2,(H2,15,17)(H,16,18).
What are the key properties of 1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide?
1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide is sourced from PubChem (CID 80715100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).