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

C16H17ClN2 — CID 115318440

IUPAC4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1Cc1ccccc1Cl
InChIInChI=1S/C16H17ClN2/c1-12-10-18-15-8-4-5-9-16(15)19(12)11-13-6-2-3-7-14(13)17/h2-9,12,18H,10-11H2,1H3
InChIKeySMGJYSSNVLGGHZ-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.16
Rot. Bonds2

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

4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 115318440) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID115318440
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1Cc1ccccc1Cl
InChIInChI=1S/C16H17ClN2/c1-12-10-18-15-8-4-5-9-16(15)19(12)11-13-6-2-3-7-14(13)17/h2-9,12,18H,10-11H2,1H3
InChIKeySMGJYSSNVLGGHZ-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline (CID 115318440) is 4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline is CC1CNc2ccccc2N1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is SMGJYSSNVLGGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-12-10-18-15-8-4-5-9-16(15)19(12)11-13-6-2-3-7-14(13)17/h2-9,12,18H,10-11H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 272.78 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115318440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).