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

C16H21ClN4 — CID 115318403

IUPAC4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCCn1nc(C)c(Cl)c1CN1c2ccccc2NCC1C
InChIInChI=1S/C16H21ClN4/c1-4-21-15(16(17)12(3)19-21)10-20-11(2)9-18-13-7-5-6-8-14(13)20/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyHZQNXCXEKBZVGF-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.69
Rot. Bonds3

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

4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 115318403) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID115318403
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCCn1nc(C)c(Cl)c1CN1c2ccccc2NCC1C
InChIInChI=1S/C16H21ClN4/c1-4-21-15(16(17)12(3)19-21)10-20-11(2)9-18-13-7-5-6-8-14(13)20/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyHZQNXCXEKBZVGF-UHFFFAOYSA-N
XLogP3.69
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline (CID 115318403) is 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline is CCn1nc(C)c(Cl)c1CN1c2ccccc2NCC1C.
What is the InChIKey of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is HZQNXCXEKBZVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-4-21-15(16(17)12(3)19-21)10-20-11(2)9-18-13-7-5-6-8-14(13)20/h5-8,11,18H,4,9-10H2,1-3H3.
What are the key properties of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 304.82 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115318403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).