4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine

C23H21ClN6O — CID 162671449

IUPAC4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine
SMILESClc1ccc2nc(/C=C/c3ccncc3)cc(-n3cc(CN4CCOCC4)nn3)c2c1
InChIInChI=1S/C23H21ClN6O/c24-18-2-4-22-21(13-18)23(14-19(26-22)3-1-17-5-7-25-8-6-17)30-16-20(27-28-30)15-29-9-11-31-12-10-29/h1-8,13-14,16H,9-12,15H2/b3-1+
InChIKeyKKVLMHDZXMRDLE-HNQUOIGGSA-N
MW432.92 g/mol
LogP3.87
Rot. Bonds5

About 4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine

4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine (PubChem CID 162671449) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is 4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine
PubChem CID162671449
Molecular FormulaC23H21ClN6O
Molecular Weight432.92 g/mol
Exact Mass432.15
IUPAC Name4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine
SMILESClc1ccc2nc(/C=C/c3ccncc3)cc(-n3cc(CN4CCOCC4)nn3)c2c1
InChIInChI=1S/C23H21ClN6O/c24-18-2-4-22-21(13-18)23(14-19(26-22)3-1-17-5-7-25-8-6-17)30-16-20(27-28-30)15-29-9-11-31-12-10-29/h1-8,13-14,16H,9-12,15H2/b3-1+
InChIKeyKKVLMHDZXMRDLE-HNQUOIGGSA-N
XLogP3.87
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine (CID 162671449) is 4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine is Clc1ccc2nc(/C=C/c3ccncc3)cc(-n3cc(CN4CCOCC4)nn3)c2c1.
What is the InChIKey of 4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine?
The InChIKey is KKVLMHDZXMRDLE-HNQUOIGGSA-N. The full InChI is InChI=1S/C23H21ClN6O/c24-18-2-4-22-21(13-18)23(14-19(26-22)3-1-17-5-7-25-8-6-17)30-16-20(27-28-30)15-29-9-11-31-12-10-29/h1-8,13-14,16H,9-12,15H2/b3-1+.
What are the key properties of 4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine?
4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine has a molecular weight of 432.92 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine is sourced from PubChem (CID 162671449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).