4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline

C13H14N2S — CID 60810607

IUPAC4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
SMILESc1ccc2c(c1)NCCN2Cc1ccsc1
InChIInChI=1S/C13H14N2S/c1-2-4-13-12(3-1)14-6-7-15(13)9-11-5-8-16-10-11/h1-5,8,10,14H,6-7,9H2
InChIKeySKLACLDSPVRDIQ-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.18
Rot. Bonds2

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

4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 60810607) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
PubChem CID60810607
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
SMILESc1ccc2c(c1)NCCN2Cc1ccsc1
InChIInChI=1S/C13H14N2S/c1-2-4-13-12(3-1)14-6-7-15(13)9-11-5-8-16-10-11/h1-5,8,10,14H,6-7,9H2
InChIKeySKLACLDSPVRDIQ-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2,3-dihydro-1H-quinoxaline
CID 3056887
4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 79015275
1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one
CID 115371154
4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline
CID 60922941
4-[(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 65317921
4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole
CID 83510648
4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
CID 54961069
3-methyl-1-(thiophen-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79906498
5-[(3-bromo-5-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311446
5-[(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 107883138
4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 62160462
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 79227718

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline (CID 60810607) is 4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline is c1ccc2c(c1)NCCN2Cc1ccsc1.
What is the InChIKey of 4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is SKLACLDSPVRDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-4-13-12(3-1)14-6-7-15(13)9-11-5-8-16-10-11/h1-5,8,10,14H,6-7,9H2.
What are the key properties of 4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline?
4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 230.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 60810607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).