2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate

C19H18N2O4 — CID 175112287

IUPAC2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate
SMILESCOc1cc2nc(CCOC=O)c(-c3ccccc3)nc2cc1OC
InChIInChI=1S/C19H18N2O4/c1-23-17-10-15-16(11-18(17)24-2)21-19(13-6-4-3-5-7-13)14(20-15)8-9-25-12-22/h3-7,10-12H,8-9H2,1-2H3
InChIKeyKXZOXTDJAAFHFA-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.03
Rot. Bonds7

About 2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate

2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate (PubChem CID 175112287) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate
PubChem CID175112287
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate
SMILESCOc1cc2nc(CCOC=O)c(-c3ccccc3)nc2cc1OC
InChIInChI=1S/C19H18N2O4/c1-23-17-10-15-16(11-18(17)24-2)21-19(13-6-4-3-5-7-13)14(20-15)8-9-25-12-22/h3-7,10-12H,8-9H2,1-2H3
InChIKeyKXZOXTDJAAFHFA-UHFFFAOYSA-N
XLogP3.03
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
(6,7-dimethoxy-3-phenylquinoxalin-2-yl)-phenylmethanone
CID 91474322
2-chloro-7-methoxy-3-phenylquinoxalin-6-ol
CID 142006607
1-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-N,N-dimethylmethanamine
CID 10851136
6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline
CID 141430614
2-azulen-2-yl-6,7-dimethoxyquinoline
CID 10591430
3-but-3-enyl-2-phenylquinoxalin-6-amine
CID 134312152
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
6-methoxy-2-phenylquinoline-3-carbaldehyde
CID 833679
N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 18271983
2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 18504282
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
CID 118411404

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate?
The IUPAC name of 2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate (CID 175112287) is 2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate.
What is the SMILES notation for 2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate?
The canonical SMILES for 2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate is COc1cc2nc(CCOC=O)c(-c3ccccc3)nc2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate?
The InChIKey is KXZOXTDJAAFHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-17-10-15-16(11-18(17)24-2)21-19(13-6-4-3-5-7-13)14(20-15)8-9-25-12-22/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate?
2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate has a molecular weight of 338.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate is sourced from PubChem (CID 175112287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).