2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide

C27H30FN5O3 — CID 176695533

IUPAC2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide
SMILESCc1c(-c2cc3cc(NC(=O)COC4CC5(CCNCC5)C4)ncc3cc2F)cnc2c1NCCO2
InChIInChI=1S/C27H30FN5O3/c1-16-21(14-32-26-25(16)30-6-7-35-26)20-8-17-10-23(31-13-18(17)9-22(20)28)33-24(34)15-36-19-11-27(12-19)2-4-29-5-3-27/h8-10,13-14,19,29-30H,2-7,11-12,15H2,1H3,(H,31,33,34)
InChIKeyKVQBKUFOZIEXDN-UHFFFAOYSA-N
MW491.57 g/mol
LogP4.04
Rot. Bonds5

About 2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide

2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide (PubChem CID 176695533) has the molecular formula C27H30FN5O3 and a molecular weight of 491.57 g/mol. Its IUPAC name is 2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide.

Molecular Properties

Compound Name2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide
PubChem CID176695533
Molecular FormulaC27H30FN5O3
Molecular Weight491.57 g/mol
Exact Mass491.23
IUPAC Name2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide
SMILESCc1c(-c2cc3cc(NC(=O)COC4CC5(CCNCC5)C4)ncc3cc2F)cnc2c1NCCO2
InChIInChI=1S/C27H30FN5O3/c1-16-21(14-32-26-25(16)30-6-7-35-26)20-8-17-10-23(31-13-18(17)9-22(20)28)33-24(34)15-36-19-11-27(12-19)2-4-29-5-3-27/h8-10,13-14,19,29-30H,2-7,11-12,15H2,1H3,(H,31,33,34)
InChIKeyKVQBKUFOZIEXDN-UHFFFAOYSA-N
XLogP4.04
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide?
The IUPAC name of 2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide (CID 176695533) is 2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide.
What is the SMILES notation for 2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide?
The canonical SMILES for 2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide is Cc1c(-c2cc3cc(NC(=O)COC4CC5(CCNCC5)C4)ncc3cc2F)cnc2c1NCCO2.
What is the InChIKey of 2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide?
The InChIKey is KVQBKUFOZIEXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O3/c1-16-21(14-32-26-25(16)30-6-7-35-26)20-8-17-10-23(31-13-18(17)9-22(20)28)33-24(34)15-36-19-11-27(12-19)2-4-29-5-3-27/h8-10,13-14,19,29-30H,2-7,11-12,15H2,1H3,(H,31,33,34).
What are the key properties of 2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide?
2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide has a molecular weight of 491.57 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-azaspiro[3.5]nonan-2-yloxy)-N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]acetamide is sourced from PubChem (CID 176695533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).