1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol

C24H30N4O4 — CID 175013978

IUPAC1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol
SMILESOC(COc1ccnc2cc(-c3ccnn3C3CCCCO3)ccc12)CN1CCOCC1
InChIInChI=1S/C24H30N4O4/c29-19(16-27-10-13-30-14-11-27)17-32-23-7-8-25-21-15-18(4-5-20(21)23)22-6-9-26-28(22)24-3-1-2-12-31-24/h4-9,15,19,24,29H,1-3,10-14,16-17H2
InChIKeyPURRBDREERWIMY-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.87
Rot. Bonds7

About 1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol

1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol (PubChem CID 175013978) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol
PubChem CID175013978
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol
SMILESOC(COc1ccnc2cc(-c3ccnn3C3CCCCO3)ccc12)CN1CCOCC1
InChIInChI=1S/C24H30N4O4/c29-19(16-27-10-13-30-14-11-27)17-32-23-7-8-25-21-15-18(4-5-20(21)23)22-6-9-26-28(22)24-3-1-2-12-31-24/h4-9,15,19,24,29H,1-3,10-14,16-17H2
InChIKeyPURRBDREERWIMY-UHFFFAOYSA-N
XLogP2.87
TPSA81.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol with MolForge

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Related Compounds

(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol
CID 137409151
2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677650
2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 154925986
5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360539
1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 109411995
1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol
CID 91578906
1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol
CID 176503307
1-morpholin-4-yl-3-quinolin-8-yloxypropan-2-ol
CID 3069803
1-(2,3-dihydro-1H-inden-4-yloxy)-3-morpholin-4-ylpropan-2-ol
CID 3051477
1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid
CID 155167536
1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid
CID 18727458
3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane
CID 154649345

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol (CID 175013978) is 1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol is OC(COc1ccnc2cc(-c3ccnn3C3CCCCO3)ccc12)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol?
The InChIKey is PURRBDREERWIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c29-19(16-27-10-13-30-14-11-27)17-32-23-7-8-25-21-15-18(4-5-20(21)23)22-6-9-26-28(22)24-3-1-2-12-31-24/h4-9,15,19,24,29H,1-3,10-14,16-17H2.
What are the key properties of 1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol?
1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol has a molecular weight of 438.53 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]oxypropan-2-ol is sourced from PubChem (CID 175013978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).