8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline

C20H24ClN3 — CID 123715703

IUPAC8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline
SMILESCC(c1nc2ccc(Cl)cc2n2cccc12)C1CCCN(C)CC1
InChIInChI=1S/C20H24ClN3/c1-14(15-5-3-10-23(2)12-9-15)20-18-6-4-11-24(18)19-13-16(21)7-8-17(19)22-20/h4,6-8,11,13-15H,3,5,9-10,12H2,1-2H3
InChIKeyGVWJJWRCXQFDAX-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.98
Rot. Bonds2

About 8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline

8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline (PubChem CID 123715703) has the molecular formula C20H24ClN3 and a molecular weight of 341.89 g/mol. Its IUPAC name is 8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline
PubChem CID123715703
Molecular FormulaC20H24ClN3
Molecular Weight341.89 g/mol
Exact Mass341.17
IUPAC Name8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline
SMILESCC(c1nc2ccc(Cl)cc2n2cccc12)C1CCCN(C)CC1
InChIInChI=1S/C20H24ClN3/c1-14(15-5-3-10-23(2)12-9-15)20-18-6-4-11-24(18)19-13-16(21)7-8-17(19)22-20/h4,6-8,11,13-15H,3,5,9-10,12H2,1-2H3
InChIKeyGVWJJWRCXQFDAX-UHFFFAOYSA-N
XLogP4.98
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline (CID 123715703) is 8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline is CC(c1nc2ccc(Cl)cc2n2cccc12)C1CCCN(C)CC1.
What is the InChIKey of 8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is GVWJJWRCXQFDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3/c1-14(15-5-3-10-23(2)12-9-15)20-18-6-4-11-24(18)19-13-16(21)7-8-17(19)22-20/h4,6-8,11,13-15H,3,5,9-10,12H2,1-2H3.
What are the key properties of 8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline?
8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline has a molecular weight of 341.89 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-[1-(1-methylazepan-4-yl)ethyl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 123715703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).