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

C24H27FN6O3 — CID 146463459

IUPAC(1-methylpiperidin-4-yl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate
SMILESCc1c(-c2cc3cc(NC(=O)OC4CCN(C)CC4)ncc3c(N)c2F)cnc2c1NCCO2
InChIInChI=1S/C24H27FN6O3/c1-13-17(11-29-23-22(13)27-5-8-33-23)16-9-14-10-19(28-12-18(14)21(26)20(16)25)30-24(32)34-15-3-6-31(2)7-4-15/h9-12,15,27H,3-8,26H2,1-2H3,(H,28,30,32)
InChIKeyFLSQCMASEIBASX-UHFFFAOYSA-N
MW466.52 g/mol
LogP3.77
Rot. Bonds3

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

(1-methylpiperidin-4-yl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate (PubChem CID 146463459) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate
PubChem CID146463459
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC Name(1-methylpiperidin-4-yl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate
SMILESCc1c(-c2cc3cc(NC(=O)OC4CCN(C)CC4)ncc3c(N)c2F)cnc2c1NCCO2
InChIInChI=1S/C24H27FN6O3/c1-13-17(11-29-23-22(13)27-5-8-33-23)16-9-14-10-19(28-12-18(14)21(26)20(16)25)30-24(32)34-15-3-6-31(2)7-4-15/h9-12,15,27H,3-8,26H2,1-2H3,(H,28,30,32)
InChIKeyFLSQCMASEIBASX-UHFFFAOYSA-N
XLogP3.77
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.77
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 (1-methylpiperidin-4-yl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?
The IUPAC name of (1-methylpiperidin-4-yl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate (CID 146463459) is (1-methylpiperidin-4-yl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate.
What is the SMILES notation for (1-methylpiperidin-4-yl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?
The canonical SMILES for (1-methylpiperidin-4-yl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate is Cc1c(-c2cc3cc(NC(=O)OC4CCN(C)CC4)ncc3c(N)c2F)cnc2c1NCCO2.
What is the InChIKey of (1-methylpiperidin-4-yl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?
The InChIKey is FLSQCMASEIBASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O3/c1-13-17(11-29-23-22(13)27-5-8-33-23)16-9-14-10-19(28-12-18(14)21(26)20(16)25)30-24(32)34-15-3-6-31(2)7-4-15/h9-12,15,27H,3-8,26H2,1-2H3,(H,28,30,32).
What are the key properties of (1-methylpiperidin-4-yl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?
(1-methylpiperidin-4-yl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate has a molecular weight of 466.52 g/mol, XLogP of 3.77, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate is sourced from PubChem (CID 146463459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).