[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate

C23H25N5O4 — CID 175142613

IUPAC[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate
SMILESCc1c(-c2cc(N)c3cnc(OC(=O)NC4COCC4C)cc3c2)cnc2c1NCCO2
InChIInChI=1S/C23H25N5O4/c1-12-10-30-11-19(12)28-23(29)32-20-7-15-5-14(6-18(24)17(15)9-26-20)16-8-27-22-21(13(16)2)25-3-4-31-22/h5-9,12,19,25H,3-4,10-11,24H2,1-2H3,(H,28,29)
InChIKeyUFNOOELOTHMPSO-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.12
Rot. Bonds3

About [8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate

[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate (PubChem CID 175142613) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is [8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate.

Molecular Properties

Compound Name[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate
PubChem CID175142613
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate
SMILESCc1c(-c2cc(N)c3cnc(OC(=O)NC4COCC4C)cc3c2)cnc2c1NCCO2
InChIInChI=1S/C23H25N5O4/c1-12-10-30-11-19(12)28-23(29)32-20-7-15-5-14(6-18(24)17(15)9-26-20)16-8-27-22-21(13(16)2)25-3-4-31-22/h5-9,12,19,25H,3-4,10-11,24H2,1-2H3,(H,28,29)
InChIKeyUFNOOELOTHMPSO-UHFFFAOYSA-N
XLogP3.12
TPSA120.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate?
The IUPAC name of [8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate (CID 175142613) is [8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate.
What is the SMILES notation for [8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate?
The canonical SMILES for [8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate is Cc1c(-c2cc(N)c3cnc(OC(=O)NC4COCC4C)cc3c2)cnc2c1NCCO2.
What is the InChIKey of [8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate?
The InChIKey is UFNOOELOTHMPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-12-10-30-11-19(12)28-23(29)32-20-7-15-5-14(6-18(24)17(15)9-26-20)16-8-27-22-21(13(16)2)25-3-4-31-22/h5-9,12,19,25H,3-4,10-11,24H2,1-2H3,(H,28,29).
What are the key properties of [8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate?
[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate has a molecular weight of 435.48 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate is sourced from PubChem (CID 175142613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).