4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

C19H16ClN5O — CID 86659733

IUPAC4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESClc1cc(N2CCOCC2)n2nc(-c3ccc4ncccc4c3)cc2n1
InChIInChI=1S/C19H16ClN5O/c20-17-12-19(24-6-8-26-9-7-24)25-18(22-17)11-16(23-25)14-3-4-15-13(10-14)2-1-5-21-15/h1-5,10-12H,6-9H2
InChIKeyRGCVVRKNPBBDCY-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.43
Rot. Bonds2

About 4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 86659733) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID86659733
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESClc1cc(N2CCOCC2)n2nc(-c3ccc4ncccc4c3)cc2n1
InChIInChI=1S/C19H16ClN5O/c20-17-12-19(24-6-8-26-9-7-24)25-18(22-17)11-16(23-25)14-3-4-15-13(10-14)2-1-5-21-15/h1-5,10-12H,6-9H2
InChIKeyRGCVVRKNPBBDCY-UHFFFAOYSA-N
XLogP3.43
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 86659733) is 4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is Clc1cc(N2CCOCC2)n2nc(-c3ccc4ncccc4c3)cc2n1.
What is the InChIKey of 4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is RGCVVRKNPBBDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c20-17-12-19(24-6-8-26-9-7-24)25-18(22-17)11-16(23-25)14-3-4-15-13(10-14)2-1-5-21-15/h1-5,10-12H,6-9H2.
What are the key properties of 4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 365.82 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 86659733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).