4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

C27H23N9O2 — CID 86345642

IUPAC4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESc1ccc2nc(OCc3cn4c(-c5ccc(-c6nn[nH]n6)cc5)cnc(N5CCOCC5)c4n3)ccc2c1
InChIInChI=1S/C27H23N9O2/c1-2-4-22-18(3-1)9-10-24(30-22)38-17-21-16-36-23(19-5-7-20(8-6-19)25-31-33-34-32-25)15-28-26(27(36)29-21)35-11-13-37-14-12-35/h1-10,15-16H,11-14,17H2,(H,31,32,33,34)
InChIKeyLUYCJFWHXPPWLR-UHFFFAOYSA-N
MW505.54 g/mol
LogP3.54
Rot. Bonds6

About 4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 86345642) has the molecular formula C27H23N9O2 and a molecular weight of 505.54 g/mol. Its IUPAC name is 4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID86345642
Molecular FormulaC27H23N9O2
Molecular Weight505.54 g/mol
Exact Mass505.20
IUPAC Name4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESc1ccc2nc(OCc3cn4c(-c5ccc(-c6nn[nH]n6)cc5)cnc(N5CCOCC5)c4n3)ccc2c1
InChIInChI=1S/C27H23N9O2/c1-2-4-22-18(3-1)9-10-24(30-22)38-17-21-16-36-23(19-5-7-20(8-6-19)25-31-33-34-32-25)15-28-26(27(36)29-21)35-11-13-37-14-12-35/h1-10,15-16H,11-14,17H2,(H,31,32,33,34)
InChIKeyLUYCJFWHXPPWLR-UHFFFAOYSA-N
XLogP3.54
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 86345642) is 4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is c1ccc2nc(OCc3cn4c(-c5ccc(-c6nn[nH]n6)cc5)cnc(N5CCOCC5)c4n3)ccc2c1.
What is the InChIKey of 4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is LUYCJFWHXPPWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N9O2/c1-2-4-22-18(3-1)9-10-24(30-22)38-17-21-16-36-23(19-5-7-20(8-6-19)25-31-33-34-32-25)15-28-26(27(36)29-21)35-11-13-37-14-12-35/h1-10,15-16H,11-14,17H2,(H,31,32,33,34).
What are the key properties of 4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 505.54 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(quinolin-2-yloxymethyl)-5-[4-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 86345642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).