(2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone

C20H23BrN2O2 — CID 141102039

IUPAC(2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cc(OC)ccc2Br)c2cc(C)c(C)cc2N1
InChIInChI=1S/C20H23BrN2O2/c1-5-14-11-23(19-9-13(3)12(2)8-18(19)22-14)20(24)16-10-15(25-4)6-7-17(16)21/h6-10,14,22H,5,11H2,1-4H3
InChIKeyDJQYJYIMHDIREV-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.93
Rot. Bonds3

About (2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone

(2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone (PubChem CID 141102039) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone
PubChem CID141102039
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name(2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cc(OC)ccc2Br)c2cc(C)c(C)cc2N1
InChIInChI=1S/C20H23BrN2O2/c1-5-14-11-23(19-9-13(3)12(2)8-18(19)22-14)20(24)16-10-15(25-4)6-7-17(16)21/h6-10,14,22H,5,11H2,1-4H3
InChIKeyDJQYJYIMHDIREV-UHFFFAOYSA-N
XLogP4.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone with MolForge

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Related Compounds

(2,6-dimethoxy-3-pyridinyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone
CID 141102111
(2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone
CID 141102092
(2-bromo-5-methoxyphenyl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone
CID 122151894
(2-bromo-5-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261775
[(3R)-3-aminopyrrolidin-1-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81468954
(2-bromo-5-methoxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81482586
(2-bromo-5-methoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550754
(2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63621547
4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one
CID 63601017
2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620800
ethyl 4-(2-bromo-5-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656557
ethyl 2-bromo-5-methoxybenzoate
CID 43389585

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone (CID 141102039) is (2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone is CCC1CN(C(=O)c2cc(OC)ccc2Br)c2cc(C)c(C)cc2N1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The InChIKey is DJQYJYIMHDIREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-5-14-11-23(19-9-13(3)12(2)8-18(19)22-14)20(24)16-10-15(25-4)6-7-17(16)21/h6-10,14,22H,5,11H2,1-4H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone?
(2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone has a molecular weight of 403.32 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone is sourced from PubChem (CID 141102039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).