3-amino-N-isoquinolin-5-yloxolane-3-carboxamide

C14H15N3O2 — CID 64892312

IUPAC3-amino-N-isoquinolin-5-yloxolane-3-carboxamide
SMILESNC1(C(=O)Nc2cccc3cnccc23)CCOC1
InChIInChI=1S/C14H15N3O2/c15-14(5-7-19-9-14)13(18)17-12-3-1-2-10-8-16-6-4-11(10)12/h1-4,6,8H,5,7,9,15H2,(H,17,18)
InChIKeyTZBGPOLYTVLAPC-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.29
Rot. Bonds2

About 3-amino-N-isoquinolin-5-yloxolane-3-carboxamide

3-amino-N-isoquinolin-5-yloxolane-3-carboxamide (PubChem CID 64892312) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-amino-N-isoquinolin-5-yloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-isoquinolin-5-yloxolane-3-carboxamide
PubChem CID64892312
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-amino-N-isoquinolin-5-yloxolane-3-carboxamide
SMILESNC1(C(=O)Nc2cccc3cnccc23)CCOC1
InChIInChI=1S/C14H15N3O2/c15-14(5-7-19-9-14)13(18)17-12-3-1-2-10-8-16-6-4-11(10)12/h1-4,6,8H,5,7,9,15H2,(H,17,18)
InChIKeyTZBGPOLYTVLAPC-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone
CID 116579730
3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide
CID 107594990
3-amino-N-(2-methoxy-3-pyridinyl)oxolane-3-carboxamide
CID 64891921
isoquinolin-5-ylthiourea
CID 1480924
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide
CID 64893352
3-amino-N-(2-sulfamoylphenyl)oxolane-3-carboxamide
CID 64893383
N-isoquinolin-5-yl-2-morpholin-4-ylacetamide
CID 110483410
2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide
CID 114995606
1-amino-N-naphthalen-1-ylcyclopentane-1-carboxamide
CID 60867744
(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
CID 116576743
3-amino-N-(2-ethoxy-3-pyridinyl)oxolane-3-carboxamide
CID 64893957
2-amino-N-isoquinolin-5-yl-2-methylpropanamide
CID 61264999

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-isoquinolin-5-yloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-isoquinolin-5-yloxolane-3-carboxamide (CID 64892312) is 3-amino-N-isoquinolin-5-yloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-isoquinolin-5-yloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-isoquinolin-5-yloxolane-3-carboxamide is NC1(C(=O)Nc2cccc3cnccc23)CCOC1.
What is the InChIKey of 3-amino-N-isoquinolin-5-yloxolane-3-carboxamide?
The InChIKey is TZBGPOLYTVLAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-14(5-7-19-9-14)13(18)17-12-3-1-2-10-8-16-6-4-11(10)12/h1-4,6,8H,5,7,9,15H2,(H,17,18).
What are the key properties of 3-amino-N-isoquinolin-5-yloxolane-3-carboxamide?
3-amino-N-isoquinolin-5-yloxolane-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-isoquinolin-5-yloxolane-3-carboxamide is sourced from PubChem (CID 64892312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).