4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline

C16H18N2 — CID 60811841

IUPAC4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
SMILESCc1ccc(CN2CCNc3ccccc32)cc1
InChIInChI=1S/C16H18N2/c1-13-6-8-14(9-7-13)12-18-11-10-17-15-4-2-3-5-16(15)18/h2-9,17H,10-12H2,1H3
InChIKeyBJNZOBVMHNRYNX-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.43
Rot. Bonds2

About 4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline

4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline (PubChem CID 60811841) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
PubChem CID60811841
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
SMILESCc1ccc(CN2CCNc3ccccc32)cc1
InChIInChI=1S/C16H18N2/c1-13-6-8-14(9-7-13)12-18-11-10-17-15-4-2-3-5-16(15)18/h2-9,17H,10-12H2,1H3
InChIKeyBJNZOBVMHNRYNX-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2,3-dihydro-1H-quinoxaline
CID 3056887
6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 82156719
4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 79015275
4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 62160462
4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 60810607
4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole
CID 83510648
4-[(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 65317921
5-[(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 107883138
4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline
CID 60922941
4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline
CID 82092614
4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline
CID 106453436
1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
CID 117006991

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline (CID 60811841) is 4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline is Cc1ccc(CN2CCNc3ccccc32)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline?
The InChIKey is BJNZOBVMHNRYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-13-6-8-14(9-7-13)12-18-11-10-17-15-4-2-3-5-16(15)18/h2-9,17H,10-12H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline?
4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline has a molecular weight of 238.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 60811841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).