(2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone

C21H27N3O3 — CID 110358672

IUPAC(2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(CCN(C)C)c2ccccc21
InChIInChI=1S/C21H27N3O3/c1-22(2)12-13-23-14-15-24(17-9-6-5-8-16(17)23)21(25)20-18(26-3)10-7-11-19(20)27-4/h5-11H,12-15H2,1-4H3
InChIKeyKPWPHQLEMDHXQR-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.73
Rot. Bonds6

About (2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone

(2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone (PubChem CID 110358672) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone
PubChem CID110358672
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(CCN(C)C)c2ccccc21
InChIInChI=1S/C21H27N3O3/c1-22(2)12-13-23-14-15-24(17-9-6-5-8-16(17)23)21(25)20-18(26-3)10-7-11-19(20)27-4/h5-11H,12-15H2,1-4H3
InChIKeyKPWPHQLEMDHXQR-UHFFFAOYSA-N
XLogP2.73
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 110361448
[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone
CID 84512347
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one
CID 110417885
4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110358714
N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 110355201
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione
CID 110355198
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
(2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
CID 91911914
3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 110361480
2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine
CID 110356890
(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81393898
2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine
CID 110356877

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone (CID 110358672) is (2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCN(CCN(C)C)c2ccccc21.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone?
The InChIKey is KPWPHQLEMDHXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-22(2)12-13-23-14-15-24(17-9-6-5-8-16(17)23)21(25)20-18(26-3)10-7-11-19(20)27-4/h5-11H,12-15H2,1-4H3.
What are the key properties of (2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone is sourced from PubChem (CID 110358672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).