(2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol

C24H31N5O4 — CID 137409162

IUPAC(2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol
SMILESNc1cc(OC[C@H](O)CN2CCOCC2)c2ccc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C24H31N5O4/c25-23-14-22(33-16-18(30)15-28-8-11-31-12-9-28)19-5-4-17(13-20(19)27-23)21-6-7-26-29(21)24-3-1-2-10-32-24/h4-7,13-14,18,24,30H,1-3,8-12,15-16H2,(H2,25,27)/t18-,24?/m1/s1
InChIKeyPPOIJMIERPXFLX-QFADGXAASA-N
MW453.54 g/mol
LogP2.45
Rot. Bonds7

About (2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol

(2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 137409162) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is (2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID137409162
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name(2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol
SMILESNc1cc(OC[C@H](O)CN2CCOCC2)c2ccc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C24H31N5O4/c25-23-14-22(33-16-18(30)15-28-8-11-31-12-9-28)19-5-4-17(13-20(19)27-23)21-6-7-26-29(21)24-3-1-2-10-32-24/h4-7,13-14,18,24,30H,1-3,8-12,15-16H2,(H2,25,27)/t18-,24?/m1/s1
InChIKeyPPOIJMIERPXFLX-QFADGXAASA-N
XLogP2.45
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol (CID 137409162) is (2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol is Nc1cc(OC[C@H](O)CN2CCOCC2)c2ccc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of (2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is PPOIJMIERPXFLX-QFADGXAASA-N. The full InChI is InChI=1S/C24H31N5O4/c25-23-14-22(33-16-18(30)15-28-8-11-31-12-9-28)19-5-4-17(13-20(19)27-23)21-6-7-26-29(21)24-3-1-2-10-32-24/h4-7,13-14,18,24,30H,1-3,8-12,15-16H2,(H2,25,27)/t18-,24?/m1/s1.
What are the key properties of (2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 453.54 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 137409162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).