4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline

C14H13ClN2 — CID 117006745

IUPAC4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline
SMILESClc1cccc(N2CCNc3ccccc32)c1
InChIInChI=1S/C14H13ClN2/c15-11-4-3-5-12(10-11)17-9-8-16-13-6-1-2-7-14(13)17/h1-7,10,16H,8-9H2
InChIKeyNCTCBOQXXDKLRP-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.90
Rot. Bonds1

About 4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline

4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 117006745) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline
PubChem CID117006745
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline
SMILESClc1cccc(N2CCNc3ccccc32)c1
InChIInChI=1S/C14H13ClN2/c15-11-4-3-5-12(10-11)17-9-8-16-13-6-1-2-7-14(13)17/h1-7,10,16H,8-9H2
InChIKeyNCTCBOQXXDKLRP-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline
CID 117006773
4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline
CID 117006767
4-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007469
4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline
CID 117100589
4-(4-ethoxyphenyl)-2,3-dihydro-1H-quinoxaline
CID 117006758
4-[(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 65317921
4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline
CID 117006770
1-(3-chlorophenyl)-1,2,4-triazinane-3-thione
CID 15056559
3-(3-chlorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 68898237
4-(3-bromophenyl)-1,2,3,6-tetrahydro-1,4-benzodiazocin-5-one
CID 117016072
6-(4-bromophenyl)-2,3,4,5-tetrahydro-1H-1,6-benzodiazocine
CID 117015772
5-chloro-3-phenyl-1,2-dihydrobenzimidazole
CID 174351589

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline (CID 117006745) is 4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline is Clc1cccc(N2CCNc3ccccc32)c1.
What is the InChIKey of 4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is NCTCBOQXXDKLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-11-4-3-5-12(10-11)17-9-8-16-13-6-1-2-7-14(13)17/h1-7,10,16H,8-9H2.
What are the key properties of 4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline?
4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 244.73 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 117006745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).