(5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine

C12H18ClN3 — CID 84629598

IUPAC(5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine
SMILESCc1cc(Cl)c2c(c1)N(C)C(CN)CN2C
InChIInChI=1S/C12H18ClN3/c1-8-4-10(13)12-11(5-8)16(3)9(6-14)7-15(12)2/h4-5,9H,6-7,14H2,1-3H3
InChIKeyJHWZJVRCHMHNLL-UHFFFAOYSA-N
MW239.75 g/mol
LogP1.86
Rot. Bonds1

About (5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine

(5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine (PubChem CID 84629598) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is (5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine
PubChem CID84629598
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name(5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine
SMILESCc1cc(Cl)c2c(c1)N(C)C(CN)CN2C
InChIInChI=1S/C12H18ClN3/c1-8-4-10(13)12-11(5-8)16(3)9(6-14)7-15(12)2/h4-5,9H,6-7,14H2,1-3H3
InChIKeyJHWZJVRCHMHNLL-UHFFFAOYSA-N
XLogP1.86
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine?
The IUPAC name of (5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine (CID 84629598) is (5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine.
What is the SMILES notation for (5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine?
The canonical SMILES for (5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine is Cc1cc(Cl)c2c(c1)N(C)C(CN)CN2C.
What is the InChIKey of (5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine?
The InChIKey is JHWZJVRCHMHNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-8-4-10(13)12-11(5-8)16(3)9(6-14)7-15(12)2/h4-5,9H,6-7,14H2,1-3H3.
What are the key properties of (5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine?
(5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine has a molecular weight of 239.75 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine is sourced from PubChem (CID 84629598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).