4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline

C17H19ClN2O — CID 115318338

IUPAC4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCOc1ccc(Cl)cc1CN1c2ccccc2NCC1C
InChIInChI=1S/C17H19ClN2O/c1-12-10-19-15-5-3-4-6-16(15)20(12)11-13-9-14(18)7-8-17(13)21-2/h3-9,12,19H,10-11H2,1-2H3
InChIKeyTVDSSVXKULXEGS-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.17
Rot. Bonds3

About 4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline

4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 115318338) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID115318338
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCOc1ccc(Cl)cc1CN1c2ccccc2NCC1C
InChIInChI=1S/C17H19ClN2O/c1-12-10-19-15-5-3-4-6-16(15)20(12)11-13-9-14(18)7-8-17(13)21-2/h3-9,12,19H,10-11H2,1-2H3
InChIKeyTVDSSVXKULXEGS-UHFFFAOYSA-N
XLogP4.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 114851362
4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318440
4-[(2-bromo-5-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318561
4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318390
3-methyl-4-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 115318541
4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol
CID 104667249
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846366
1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione
CID 64878924
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 62160462
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline (CID 115318338) is 4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline is COc1ccc(Cl)cc1CN1c2ccccc2NCC1C.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is TVDSSVXKULXEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-10-19-15-5-3-4-6-16(15)20(12)11-13-9-14(18)7-8-17(13)21-2/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 302.81 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115318338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).