4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine

C26H24N6O — CID 155567611

IUPAC4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine
SMILESC[C@@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(N5CCOCC5)nc4)cc3c21
InChIInChI=1S/C26H24N6O/c1-18(19-5-3-2-4-6-19)32-26-22-15-20(7-9-23(22)27-17-24(26)29-30-32)21-8-10-25(28-16-21)31-11-13-33-14-12-31/h2-10,15-18H,11-14H2,1H3/t18-/m0/s1
InChIKeyBWFNDDYTATUCTL-SFHVURJKSA-N
MW436.52 g/mol
LogP4.49
Rot. Bonds4

About 4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine

4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine (PubChem CID 155567611) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine
PubChem CID155567611
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine
SMILESC[C@@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(N5CCOCC5)nc4)cc3c21
InChIInChI=1S/C26H24N6O/c1-18(19-5-3-2-4-6-19)32-26-22-15-20(7-9-23(22)27-17-24(26)29-30-32)21-8-10-25(28-16-21)31-11-13-33-14-12-31/h2-10,15-18H,11-14H2,1H3/t18-/m0/s1
InChIKeyBWFNDDYTATUCTL-SFHVURJKSA-N
XLogP4.49
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine (CID 155567611) is 4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine is C[C@@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(N5CCOCC5)nc4)cc3c21.
What is the InChIKey of 4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine?
The InChIKey is BWFNDDYTATUCTL-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24N6O/c1-18(19-5-3-2-4-6-19)32-26-22-15-20(7-9-23(22)27-17-24(26)29-30-32)21-8-10-25(28-16-21)31-11-13-33-14-12-31/h2-10,15-18H,11-14H2,1H3/t18-/m0/s1.
What are the key properties of 4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine?
4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine has a molecular weight of 436.52 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 155567611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).