2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol

C26H29N7O3 — CID 57442114

IUPAC2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol
SMILESCC1CN(c2nc(N3CCOCC3)c3ccc(Nc4ccc5cccc(O)c5n4)nc3n2)CC(C)O1
InChIInChI=1S/C26H29N7O3/c1-16-14-33(15-17(2)36-16)26-30-24-19(25(31-26)32-10-12-35-13-11-32)7-9-22(29-24)27-21-8-6-18-4-3-5-20(34)23(18)28-21/h3-9,16-17,34H,10-15H2,1-2H3,(H,27,28,29,30,31)
InChIKeyYNWQRPBFMAPEAO-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.47
Rot. Bonds4

About 2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol

2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol (PubChem CID 57442114) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol
PubChem CID57442114
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol
SMILESCC1CN(c2nc(N3CCOCC3)c3ccc(Nc4ccc5cccc(O)c5n4)nc3n2)CC(C)O1
InChIInChI=1S/C26H29N7O3/c1-16-14-33(15-17(2)36-16)26-30-24-19(25(31-26)32-10-12-35-13-11-32)7-9-22(29-24)27-21-8-6-18-4-3-5-20(34)23(18)28-21/h3-9,16-17,34H,10-15H2,1-2H3,(H,27,28,29,30,31)
InChIKeyYNWQRPBFMAPEAO-UHFFFAOYSA-N
XLogP3.47
TPSA108.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol?
The IUPAC name of 2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol (CID 57442114) is 2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol.
What is the SMILES notation for 2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol?
The canonical SMILES for 2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol is CC1CN(c2nc(N3CCOCC3)c3ccc(Nc4ccc5cccc(O)c5n4)nc3n2)CC(C)O1.
What is the InChIKey of 2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol?
The InChIKey is YNWQRPBFMAPEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-16-14-33(15-17(2)36-16)26-30-24-19(25(31-26)32-10-12-35-13-11-32)7-9-22(29-24)27-21-8-6-18-4-3-5-20(34)23(18)28-21/h3-9,16-17,34H,10-15H2,1-2H3,(H,27,28,29,30,31).
What are the key properties of 2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol?
2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol has a molecular weight of 487.56 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]quinolin-8-ol is sourced from PubChem (CID 57442114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).