7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide

C17H18N4O3 — CID 138680054

IUPAC7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide
SMILESCOc1cc2c(N3CC4(CCC(=O)N4)C3)nccc2cc1C(N)=O
InChIInChI=1S/C17H18N4O3/c1-24-13-7-11-10(6-12(13)15(18)23)3-5-19-16(11)21-8-17(9-21)4-2-14(22)20-17/h3,5-7H,2,4,8-9H2,1H3,(H2,18,23)(H,20,22)
InChIKeyBKWLVEPFPRLCLN-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.81
Rot. Bonds3

About 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide

7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide (PubChem CID 138680054) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide
PubChem CID138680054
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide
SMILESCOc1cc2c(N3CC4(CCC(=O)N4)C3)nccc2cc1C(N)=O
InChIInChI=1S/C17H18N4O3/c1-24-13-7-11-10(6-12(13)15(18)23)3-5-19-16(11)21-8-17(9-21)4-2-14(22)20-17/h3,5-7H,2,4,8-9H2,1H3,(H2,18,23)(H,20,22)
InChIKeyBKWLVEPFPRLCLN-UHFFFAOYSA-N
XLogP0.81
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide?
The IUPAC name of 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide (CID 138680054) is 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide.
What is the SMILES notation for 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide?
The canonical SMILES for 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide is COc1cc2c(N3CC4(CCC(=O)N4)C3)nccc2cc1C(N)=O.
What is the InChIKey of 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide?
The InChIKey is BKWLVEPFPRLCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-24-13-7-11-10(6-12(13)15(18)23)3-5-19-16(11)21-8-17(9-21)4-2-14(22)20-17/h3,5-7H,2,4,8-9H2,1H3,(H2,18,23)(H,20,22).
What are the key properties of 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide?
7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide is sourced from PubChem (CID 138680054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).