5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline

C14H13ClN2 — CID 113459426

IUPAC5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline
SMILESClc1cccc2c1NCC(c1ccccc1)N2
InChIInChI=1S/C14H13ClN2/c15-11-7-4-8-12-14(11)16-9-13(17-12)10-5-2-1-3-6-10/h1-8,13,16-17H,9H2
InChIKeyRRZALVITDKTYKY-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.92
Rot. Bonds1

About 5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline

5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 113459426) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline
PubChem CID113459426
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline
SMILESClc1cccc2c1NCC(c1ccccc1)N2
InChIInChI=1S/C14H13ClN2/c15-11-7-4-8-12-14(11)16-9-13(17-12)10-5-2-1-3-6-10/h1-8,13,16-17H,9H2
InChIKeyRRZALVITDKTYKY-UHFFFAOYSA-N
XLogP3.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 2771647
6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline
CID 82156513
(2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline
CID 171063111
(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline
CID 53375541
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline
CID 71271669
7-chloro-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84671899
8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline
CID 104839707
6-chloro-3-propyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 79295304
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
(2S)-2-phenyl-1,2,3,4-tetrahydrobenzo[g]quinoline
CID 101474621
7-chloro-2-pyridin-3-yl-2,3-dihydro-1H-indole
CID 5137664

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline (CID 113459426) is 5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline is Clc1cccc2c1NCC(c1ccccc1)N2.
What is the InChIKey of 5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is RRZALVITDKTYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-11-7-4-8-12-14(11)16-9-13(17-12)10-5-2-1-3-6-10/h1-8,13,16-17H,9H2.
What are the key properties of 5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline?
5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 244.73 g/mol, XLogP of 3.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 113459426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).