6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine

C25H26ClN7O — CID 162646285

IUPAC6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
SMILESClc1ccc2nc(/C=C/c3ccncc3)cc(NCCn3cc(CN4CCOCC4)nn3)c2c1
InChIInChI=1S/C25H26ClN7O/c26-20-2-4-24-23(15-20)25(16-21(29-24)3-1-19-5-7-27-8-6-19)28-9-10-33-18-22(30-31-33)17-32-11-13-34-14-12-32/h1-8,15-16,18H,9-14,17H2,(H,28,29)/b3-1+
InChIKeyRSTGLGBUPXMBAC-HNQUOIGGSA-N
MW475.98 g/mol
LogP3.99
Rot. Bonds8

About 6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine

6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine (PubChem CID 162646285) has the molecular formula C25H26ClN7O and a molecular weight of 475.98 g/mol. Its IUPAC name is 6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
PubChem CID162646285
Molecular FormulaC25H26ClN7O
Molecular Weight475.98 g/mol
Exact Mass475.19
IUPAC Name6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
SMILESClc1ccc2nc(/C=C/c3ccncc3)cc(NCCn3cc(CN4CCOCC4)nn3)c2c1
InChIInChI=1S/C25H26ClN7O/c26-20-2-4-24-23(15-20)25(16-21(29-24)3-1-19-5-7-27-8-6-19)28-9-10-33-18-22(30-31-33)17-32-11-13-34-14-12-32/h1-8,15-16,18H,9-14,17H2,(H,28,29)/b3-1+
InChIKeyRSTGLGBUPXMBAC-HNQUOIGGSA-N
XLogP3.99
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
The IUPAC name of 6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine (CID 162646285) is 6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
The canonical SMILES for 6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine is Clc1ccc2nc(/C=C/c3ccncc3)cc(NCCn3cc(CN4CCOCC4)nn3)c2c1.
What is the InChIKey of 6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
The InChIKey is RSTGLGBUPXMBAC-HNQUOIGGSA-N. The full InChI is InChI=1S/C25H26ClN7O/c26-20-2-4-24-23(15-20)25(16-21(29-24)3-1-19-5-7-27-8-6-19)28-9-10-33-18-22(30-31-33)17-32-11-13-34-14-12-32/h1-8,15-16,18H,9-14,17H2,(H,28,29)/b3-1+.
What are the key properties of 6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine has a molecular weight of 475.98 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine is sourced from PubChem (CID 162646285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).