2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol

C24H28N6O2 — CID 170324297

IUPAC2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol
SMILESCc1c(N2CCc3cnc(Nc4cccc(C(C)(C)O)c4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C24H28N6O2/c1-15-20(13-26-22-21(15)25-8-10-32-22)30-9-7-16-12-27-23(29-19(16)14-30)28-18-6-4-5-17(11-18)24(2,3)31/h4-6,11-13,25,31H,7-10,14H2,1-3H3,(H,27,28,29)
InChIKeyUIAPSINNQWSCJO-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.52
Rot. Bonds4

About 2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol

2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol (PubChem CID 170324297) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol
PubChem CID170324297
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol
SMILESCc1c(N2CCc3cnc(Nc4cccc(C(C)(C)O)c4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C24H28N6O2/c1-15-20(13-26-22-21(15)25-8-10-32-22)30-9-7-16-12-27-23(29-19(16)14-30)28-18-6-4-5-17(11-18)24(2,3)31/h4-6,11-13,25,31H,7-10,14H2,1-3H3,(H,27,28,29)
InChIKeyUIAPSINNQWSCJO-UHFFFAOYSA-N
XLogP3.52
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol?
The IUPAC name of 2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol (CID 170324297) is 2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol?
The canonical SMILES for 2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol is Cc1c(N2CCc3cnc(Nc4cccc(C(C)(C)O)c4)nc3C2)cnc2c1NCCO2.
What is the InChIKey of 2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol?
The InChIKey is UIAPSINNQWSCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-15-20(13-26-22-21(15)25-8-10-32-22)30-9-7-16-12-27-23(29-19(16)14-30)28-18-6-4-5-17(11-18)24(2,3)31/h4-6,11-13,25,31H,7-10,14H2,1-3H3,(H,27,28,29).
What are the key properties of 2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol?
2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol has a molecular weight of 432.53 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]propan-2-ol is sourced from PubChem (CID 170324297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).