4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline

C15H22N2 — CID 115318348

IUPAC4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1CC1CCCC1
InChIInChI=1S/C15H22N2/c1-12-10-16-14-8-4-5-9-15(14)17(12)11-13-6-2-3-7-13/h4-5,8-9,12-13,16H,2-3,6-7,10-11H2,1H3
InChIKeyTZURMTFSKVVICZ-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.50
Rot. Bonds2

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

4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 115318348) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID115318348
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1CC1CCCC1
InChIInChI=1S/C15H22N2/c1-12-10-16-14-8-4-5-9-15(14)17(12)11-13-6-2-3-7-13/h4-5,8-9,12-13,16H,2-3,6-7,10-11H2,1H3
InChIKeyTZURMTFSKVVICZ-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 75481796
6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
CID 82156654
3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
CID 115318527
4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318552
2-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)acetamide
CID 115318363
4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 105404987
3-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]pentan-3-ol
CID 114496646
4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318440
4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318465
4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318390
3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 115318590
4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318321

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline (CID 115318348) is 4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline is CC1CNc2ccccc2N1CC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is TZURMTFSKVVICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-10-16-14-8-4-5-9-15(14)17(12)11-13-6-2-3-7-13/h4-5,8-9,12-13,16H,2-3,6-7,10-11H2,1H3.
What are the key properties of 4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline?
4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 230.36 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115318348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).