7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one

C18H14ClN3O — CID 67198720

IUPAC7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCN1C(=O)CNc2cc(-c3cncc4ccccc34)c(Cl)cc21
InChIInChI=1S/C18H14ClN3O/c1-22-17-7-15(19)13(6-16(17)21-10-18(22)23)14-9-20-8-11-4-2-3-5-12(11)14/h2-9,21H,10H2,1H3
InChIKeyIVSQVERUYOUXSP-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.94
Rot. Bonds1

About 7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one

7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 67198720) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID67198720
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCN1C(=O)CNc2cc(-c3cncc4ccccc34)c(Cl)cc21
InChIInChI=1S/C18H14ClN3O/c1-22-17-7-15(19)13(6-16(17)21-10-18(22)23)14-9-20-8-11-4-2-3-5-12(11)14/h2-9,21H,10H2,1H3
InChIKeyIVSQVERUYOUXSP-UHFFFAOYSA-N
XLogP3.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one (CID 67198720) is 7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one is CN1C(=O)CNc2cc(-c3cncc4ccccc34)c(Cl)cc21.
What is the InChIKey of 7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is IVSQVERUYOUXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c1-22-17-7-15(19)13(6-16(17)21-10-18(22)23)14-9-20-8-11-4-2-3-5-12(11)14/h2-9,21H,10H2,1H3.
What are the key properties of 7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one?
7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 323.78 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 67198720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).