1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone

C34H33N5O2 — CID 70206672

IUPAC1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone
SMILESCc1cnc(-c2cccc3c(CC(=O)N4CCc5cc6nccc(N7CCN8CCC[C@H]8C7)c6cc54)cccc23)o1
InChIInChI=1S/C34H33N5O2/c1-22-20-36-34(41-22)28-9-3-7-26-23(5-2-8-27(26)28)18-33(40)39-14-11-24-17-30-29(19-32(24)39)31(10-12-35-30)38-16-15-37-13-4-6-25(37)21-38/h2-3,5,7-10,12,17,19-20,25H,4,6,11,13-16,18,21H2,1H3/t25-/m0/s1
InChIKeyHOYLRCNPWVOVFU-VWLOTQADSA-N
MW543.67 g/mol
LogP5.77
Rot. Bonds4

About 1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone

1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone (PubChem CID 70206672) has the molecular formula C34H33N5O2 and a molecular weight of 543.67 g/mol. Its IUPAC name is 1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone
PubChem CID70206672
Molecular FormulaC34H33N5O2
Molecular Weight543.67 g/mol
Exact Mass543.26
IUPAC Name1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone
SMILESCc1cnc(-c2cccc3c(CC(=O)N4CCc5cc6nccc(N7CCN8CCC[C@H]8C7)c6cc54)cccc23)o1
InChIInChI=1S/C34H33N5O2/c1-22-20-36-34(41-22)28-9-3-7-26-23(5-2-8-27(26)28)18-33(40)39-14-11-24-17-30-29(19-32(24)39)31(10-12-35-30)38-16-15-37-13-4-6-25(37)21-38/h2-3,5,7-10,12,17,19-20,25H,4,6,11,13-16,18,21H2,1H3/t25-/m0/s1
InChIKeyHOYLRCNPWVOVFU-VWLOTQADSA-N
XLogP5.77
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone?
The IUPAC name of 1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone (CID 70206672) is 1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone.
What is the SMILES notation for 1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone?
The canonical SMILES for 1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone is Cc1cnc(-c2cccc3c(CC(=O)N4CCc5cc6nccc(N7CCN8CCC[C@H]8C7)c6cc54)cccc23)o1.
What is the InChIKey of 1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone?
The InChIKey is HOYLRCNPWVOVFU-VWLOTQADSA-N. The full InChI is InChI=1S/C34H33N5O2/c1-22-20-36-34(41-22)28-9-3-7-26-23(5-2-8-27(26)28)18-33(40)39-14-11-24-17-30-29(19-32(24)39)31(10-12-35-30)38-16-15-37-13-4-6-25(37)21-38/h2-3,5,7-10,12,17,19-20,25H,4,6,11,13-16,18,21H2,1H3/t25-/m0/s1.
What are the key properties of 1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone?
1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone has a molecular weight of 543.67 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone is sourced from PubChem (CID 70206672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).