6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one

C28H24N6O3 — CID 86345647

IUPAC6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cc2o1
InChIInChI=1S/C28H24N6O3/c35-28-32-23-10-6-19(15-25(23)37-28)24-16-29-26(33-11-13-36-14-12-33)27-31-21(17-34(24)27)9-8-20-7-5-18-3-1-2-4-22(18)30-20/h1-7,10,15-17H,8-9,11-14H2,(H,32,35)
InChIKeyYJTXIGOLXFYBSN-UHFFFAOYSA-N
MW492.54 g/mol
LogP4.00
Rot. Bonds5

About 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one

6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 86345647) has the molecular formula C28H24N6O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one
PubChem CID86345647
Molecular FormulaC28H24N6O3
Molecular Weight492.54 g/mol
Exact Mass492.19
IUPAC Name6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cc2o1
InChIInChI=1S/C28H24N6O3/c35-28-32-23-10-6-19(15-25(23)37-28)24-16-29-26(33-11-13-36-14-12-33)27-31-21(17-34(24)27)9-8-20-7-5-18-3-1-2-4-22(18)30-20/h1-7,10,15-17H,8-9,11-14H2,(H,32,35)
InChIKeyYJTXIGOLXFYBSN-UHFFFAOYSA-N
XLogP4.00
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one
CID 86346032
N-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]sulfonylacetamide
CID 86345857
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123392808
5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 86345643
tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 86345944
4-[2-(2-quinolin-2-ylethenyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123632757
N'-hydroxy-8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazine-5-carboximidamide
CID 137209345
N'-hydroxy-8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazine-5-carboximidamide
CID 136942070
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(3-quinolin-2-ylazetidin-1-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine;2,2,2-trifluoroacetic acid
CID 86345532
[[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate
CID 123657151
2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 86345571
4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 86345569

Frequently Asked Questions

What is the IUPAC name of 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one (CID 86345647) is 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cc2o1.
What is the InChIKey of 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is YJTXIGOLXFYBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3/c35-28-32-23-10-6-19(15-25(23)37-28)24-16-29-26(33-11-13-36-14-12-33)27-31-21(17-34(24)27)9-8-20-7-5-18-3-1-2-4-22(18)30-20/h1-7,10,15-17H,8-9,11-14H2,(H,32,35).
What are the key properties of 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one?
6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 492.54 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 86345647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).