2-[4-[[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]ethanol

C23H26N6O2 — CID 170324772

IUPAC2-[4-[[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]ethanol
SMILESCc1c(N2CCc3cnc(Nc4ccc(CCO)cc4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C23H26N6O2/c1-15-20(13-25-22-21(15)24-8-11-31-22)29-9-6-17-12-26-23(28-19(17)14-29)27-18-4-2-16(3-5-18)7-10-30/h2-5,12-13,24,30H,6-11,14H2,1H3,(H,26,27,28)
InChIKeyAERQROCVRQDIRE-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.83
Rot. Bonds5

About 2-[4-[[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]ethanol

2-[4-[[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]ethanol (PubChem CID 170324772) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[4-[[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]ethanol.

Molecular Properties

Compound Name2-[4-[[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]ethanol
PubChem CID170324772
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name2-[4-[[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]ethanol
SMILESCc1c(N2CCc3cnc(Nc4ccc(CCO)cc4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C23H26N6O2/c1-15-20(13-25-22-21(15)24-8-11-31-22)29-9-6-17-12-26-23(28-19(17)14-29)27-18-4-2-16(3-5-18)7-10-30/h2-5,12-13,24,30H,6-11,14H2,1H3,(H,26,27,28)
InChIKeyAERQROCVRQDIRE-UHFFFAOYSA-N
XLogP2.83
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[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]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[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]ethanol?
The IUPAC name of 2-[4-[[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]ethanol (CID 170324772) is 2-[4-[[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]ethanol.
What is the SMILES notation for 2-[4-[[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]ethanol?
The canonical SMILES for 2-[4-[[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]ethanol is Cc1c(N2CCc3cnc(Nc4ccc(CCO)cc4)nc3C2)cnc2c1NCCO2.
What is the InChIKey of 2-[4-[[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]ethanol?
The InChIKey is AERQROCVRQDIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15-20(13-25-22-21(15)24-8-11-31-22)29-9-6-17-12-26-23(28-19(17)14-29)27-18-4-2-16(3-5-18)7-10-30/h2-5,12-13,24,30H,6-11,14H2,1H3,(H,26,27,28).
What are the key properties of 2-[4-[[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]ethanol?
2-[4-[[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]ethanol has a molecular weight of 418.50 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[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]ethanol is sourced from PubChem (CID 170324772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).