10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline

C14H19ClN2 — CID 134134314

IUPAC10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline
SMILESCC1(C)Cc2cccc(Cl)c2N2CCNCC21
InChIInChI=1S/C14H19ClN2/c1-14(2)8-10-4-3-5-11(15)13(10)17-7-6-16-9-12(14)17/h3-5,12,16H,6-9H2,1-2H3
InChIKeyONAWUUDVLOPFDC-UHFFFAOYSA-N
MW250.77 g/mol
LogP2.70
Rot. Bonds

About 10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline

10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline (PubChem CID 134134314) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline.

Molecular Properties

Compound Name10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline
PubChem CID134134314
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline
SMILESCC1(C)Cc2cccc(Cl)c2N2CCNCC21
InChIInChI=1S/C14H19ClN2/c1-14(2)8-10-4-3-5-11(15)13(10)17-7-6-16-9-12(14)17/h3-5,12,16H,6-9H2,1-2H3
InChIKeyONAWUUDVLOPFDC-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline?
The IUPAC name of 10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline (CID 134134314) is 10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline.
What is the SMILES notation for 10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline?
The canonical SMILES for 10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline is CC1(C)Cc2cccc(Cl)c2N2CCNCC21.
What is the InChIKey of 10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline?
The InChIKey is ONAWUUDVLOPFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-14(2)8-10-4-3-5-11(15)13(10)17-7-6-16-9-12(14)17/h3-5,12,16H,6-9H2,1-2H3.
What are the key properties of 10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline?
10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline has a molecular weight of 250.77 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline is sourced from PubChem (CID 134134314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).