4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline

C17H17ClN4O — CID 53380468

IUPAC4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline
SMILESClc1ccc2nc(N3CCN4CCCC4C3)c3nocc3c2c1
InChIInChI=1S/C17H17ClN4O/c18-11-3-4-15-13(8-11)14-10-23-20-16(14)17(19-15)22-7-6-21-5-1-2-12(21)9-22/h3-4,8,10,12H,1-2,5-7,9H2
InChIKeyDQNRWDDIDNWARF-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.31
Rot. Bonds1

About 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline (PubChem CID 53380468) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline.

Molecular Properties

Compound Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline
PubChem CID53380468
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline
SMILESClc1ccc2nc(N3CCN4CCCC4C3)c3nocc3c2c1
InChIInChI=1S/C17H17ClN4O/c18-11-3-4-15-13(8-11)14-10-23-20-16(14)17(19-15)22-7-6-21-5-1-2-12(21)9-22/h3-4,8,10,12H,1-2,5-7,9H2
InChIKeyDQNRWDDIDNWARF-UHFFFAOYSA-N
XLogP3.31
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline with MolForge

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Related Compounds

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-9-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 53380681
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-chloroaniline
CID 113315828
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline
CID 79917034
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-chlorobenzaldehyde
CID 114844437
7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline
CID 133315656
2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79035612
2-(3-chloro-4-fluorophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940057
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 103322108
2-(2,5-dichlorophenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939288
6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride
CID 131730289
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chlorobenzoic acid
CID 79924644
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine
CID 162659141

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline?
The IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline (CID 53380468) is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline.
What is the SMILES notation for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline?
The canonical SMILES for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline is Clc1ccc2nc(N3CCN4CCCC4C3)c3nocc3c2c1.
What is the InChIKey of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline?
The InChIKey is DQNRWDDIDNWARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-11-3-4-15-13(8-11)14-10-23-20-16(14)17(19-15)22-7-6-21-5-1-2-12(21)9-22/h3-4,8,10,12H,1-2,5-7,9H2.
What are the key properties of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline?
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline has a molecular weight of 328.80 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-chloro-[1,2]oxazolo[3,4-c]quinoline is sourced from PubChem (CID 53380468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).