7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline

C12H13ClN4 — CID 113316504

IUPAC7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline
SMILESCn1cc(C2CNc3ccc(Cl)cc3N2)cn1
InChIInChI=1S/C12H13ClN4/c1-17-7-8(5-15-17)12-6-14-10-3-2-9(13)4-11(10)16-12/h2-5,7,12,14,16H,6H2,1H3
InChIKeyJLECSAGECRWEPC-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.65
Rot. Bonds1

About 7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline

7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline (PubChem CID 113316504) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline
PubChem CID113316504
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline
SMILESCn1cc(C2CNc3ccc(Cl)cc3N2)cn1
InChIInChI=1S/C12H13ClN4/c1-17-7-8(5-15-17)12-6-14-10-3-2-9(13)4-11(10)16-12/h2-5,7,12,14,16H,6H2,1H3
InChIKeyJLECSAGECRWEPC-UHFFFAOYSA-N
XLogP2.65
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
CID 115289491
6-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 113316496
6-methyl-3-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 113279745
7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 115289464
(2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 95241931
7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115472239
7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline
CID 115472197
6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 115289471
6-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285782
(2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
CID 177322255
6-chloro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672943
(3R,4S)-N-(2-acetamido-5-chlorophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120928693

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline (CID 113316504) is 7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline is Cn1cc(C2CNc3ccc(Cl)cc3N2)cn1.
What is the InChIKey of 7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is JLECSAGECRWEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-17-7-8(5-15-17)12-6-14-10-3-2-9(13)4-11(10)16-12/h2-5,7,12,14,16H,6H2,1H3.
What are the key properties of 7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline?
7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 248.72 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 113316504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).