4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline

C19H22F2N2 — CID 94763795

IUPAC4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline
SMILESCc1cc2c(cc1C)N(Cc1ccc(F)c(F)c1)C(C)(C)CN2
InChIInChI=1S/C19H22F2N2/c1-12-7-17-18(8-13(12)2)23(19(3,4)11-22-17)10-14-5-6-15(20)16(21)9-14/h5-9,22H,10-11H2,1-4H3
InChIKeyYLMRUVNJPHTREQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.79
Rot. Bonds2

About 4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline

4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline (PubChem CID 94763795) has the molecular formula C19H22F2N2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline
PubChem CID94763795
Molecular FormulaC19H22F2N2
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline
SMILESCc1cc2c(cc1C)N(Cc1ccc(F)c(F)c1)C(C)(C)CN2
InChIInChI=1S/C19H22F2N2/c1-12-7-17-18(8-13(12)2)23(19(3,4)11-22-17)10-14-5-6-15(20)16(21)9-14/h5-9,22H,10-11H2,1-4H3
InChIKeyYLMRUVNJPHTREQ-UHFFFAOYSA-N
XLogP4.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline
CID 103594586
1-[(3,4-difluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 82923713
1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione
CID 82923931
4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 79015275
1-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperazin-2-one
CID 82930055
1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 82924183
1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119923924
2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 82925014
1-[(3,4-difluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 82925269
(3aR,6aS)-5-[(3,4-difluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042179
2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine
CID 82923443
6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 82156719

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline?
The IUPAC name of 4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline (CID 94763795) is 4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline?
The canonical SMILES for 4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline is Cc1cc2c(cc1C)N(Cc1ccc(F)c(F)c1)C(C)(C)CN2.
What is the InChIKey of 4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline?
The InChIKey is YLMRUVNJPHTREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2/c1-12-7-17-18(8-13(12)2)23(19(3,4)11-22-17)10-14-5-6-15(20)16(21)9-14/h5-9,22H,10-11H2,1-4H3.
What are the key properties of 4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline?
4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline has a molecular weight of 316.40 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline is sourced from PubChem (CID 94763795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).