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

C26H25FN6O — CID 163290871

IUPAC6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
SMILESCc1c(-c2cc3nc(Nc4ccc5c(c4)CN(C)CC5)ncc3cc2F)cnc2c1NCCO2
InChIInChI=1S/C26H25FN6O/c1-15-21(13-29-25-24(15)28-6-8-34-25)20-11-23-17(10-22(20)27)12-30-26(32-23)31-19-4-3-16-5-7-33(2)14-18(16)9-19/h3-4,9-13,28H,5-8,14H2,1-2H3,(H,30,31,32)
InChIKeyDWEZENJKIPBYKH-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.68
Rot. Bonds3

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

6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine (PubChem CID 163290871) has the molecular formula C26H25FN6O and a molecular weight of 456.53 g/mol. Its IUPAC name is 6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
PubChem CID163290871
Molecular FormulaC26H25FN6O
Molecular Weight456.53 g/mol
Exact Mass456.21
IUPAC Name6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
SMILESCc1c(-c2cc3nc(Nc4ccc5c(c4)CN(C)CC5)ncc3cc2F)cnc2c1NCCO2
InChIInChI=1S/C26H25FN6O/c1-15-21(13-29-25-24(15)28-6-8-34-25)20-11-23-17(10-22(20)27)12-30-26(32-23)31-19-4-3-16-5-7-33(2)14-18(16)9-19/h3-4,9-13,28H,5-8,14H2,1-2H3,(H,30,31,32)
InChIKeyDWEZENJKIPBYKH-UHFFFAOYSA-N
XLogP4.68
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine?
The IUPAC name of 6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine (CID 163290871) is 6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine.
What is the SMILES notation for 6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine?
The canonical SMILES for 6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine is Cc1c(-c2cc3nc(Nc4ccc5c(c4)CN(C)CC5)ncc3cc2F)cnc2c1NCCO2.
What is the InChIKey of 6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine?
The InChIKey is DWEZENJKIPBYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O/c1-15-21(13-29-25-24(15)28-6-8-34-25)20-11-23-17(10-22(20)27)12-30-26(32-23)31-19-4-3-16-5-7-33(2)14-18(16)9-19/h3-4,9-13,28H,5-8,14H2,1-2H3,(H,30,31,32).
What are the key properties of 6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine?
6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine has a molecular weight of 456.53 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163290871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).