4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine

C25H21N5O — CID 155382529

IUPAC4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine
SMILESc1ccc2ncc(-c3cc(N4CCOCC4)nc4c(-c5ccn[nH]5)cccc34)cc2c1
InChIInChI=1S/C25H21N5O/c1-2-7-22-17(4-1)14-18(16-26-22)21-15-24(30-10-12-31-13-11-30)28-25-19(21)5-3-6-20(25)23-8-9-27-29-23/h1-9,14-16H,10-13H2,(H,27,29)
InChIKeyAAFJBWBVJUYHOC-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.68
Rot. Bonds3

About 4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine

4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine (PubChem CID 155382529) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine
PubChem CID155382529
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine
SMILESc1ccc2ncc(-c3cc(N4CCOCC4)nc4c(-c5ccn[nH]5)cccc34)cc2c1
InChIInChI=1S/C25H21N5O/c1-2-7-22-17(4-1)14-18(16-26-22)21-15-24(30-10-12-31-13-11-30)28-25-19(21)5-3-6-20(25)23-8-9-27-29-23/h1-9,14-16H,10-13H2,(H,27,29)
InChIKeyAAFJBWBVJUYHOC-UHFFFAOYSA-N
XLogP4.68
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine?
The IUPAC name of 4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine (CID 155382529) is 4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine.
What is the SMILES notation for 4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine?
The canonical SMILES for 4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine is c1ccc2ncc(-c3cc(N4CCOCC4)nc4c(-c5ccn[nH]5)cccc34)cc2c1.
What is the InChIKey of 4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine?
The InChIKey is AAFJBWBVJUYHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c1-2-7-22-17(4-1)14-18(16-26-22)21-15-24(30-10-12-31-13-11-30)28-25-19(21)5-3-6-20(25)23-8-9-27-29-23/h1-9,14-16H,10-13H2,(H,27,29).
What are the key properties of 4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine?
4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine has a molecular weight of 407.48 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(1H-pyrazol-5-yl)-4-quinolin-3-ylquinolin-2-yl]morpholine is sourced from PubChem (CID 155382529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).