1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol

C19H23N5O3 — CID 137409153

IUPAC1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol
SMILESNc1cc(OCC(O)CN2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H23N5O3/c20-19-10-18(27-12-14(25)11-24-5-7-26-8-6-24)15-2-1-13(9-17(15)22-19)16-3-4-21-23-16/h1-4,9-10,14,25H,5-8,11-12H2,(H2,20,22)(H,21,23)
InChIKeyQMDXBDYJUZFQOF-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.28
Rot. Bonds6

About 1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol

1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 137409153) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID137409153
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol
SMILESNc1cc(OCC(O)CN2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H23N5O3/c20-19-10-18(27-12-14(25)11-24-5-7-26-8-6-24)15-2-1-13(9-17(15)22-19)16-3-4-21-23-16/h1-4,9-10,14,25H,5-8,11-12H2,(H2,20,22)(H,21,23)
InChIKeyQMDXBDYJUZFQOF-UHFFFAOYSA-N
XLogP1.28
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol (CID 137409153) is 1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol is Nc1cc(OCC(O)CN2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is QMDXBDYJUZFQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c20-19-10-18(27-12-14(25)11-24-5-7-26-8-6-24)15-2-1-13(9-17(15)22-19)16-3-4-21-23-16/h1-4,9-10,14,25H,5-8,11-12H2,(H2,20,22)(H,21,23).
What are the key properties of 1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol?
1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 369.43 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 137409153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).