N-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide

C19H18FN3O2 — CID 50779901

IUPACN-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
SMILESCOc1nc2cc(C)c(C)cc2nc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-11-8-15-16(9-12(11)2)23-19(25-3)17(22-15)18(24)21-10-13-4-6-14(20)7-5-13/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyKNJPDZKYFFWDKJ-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.32
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide (PubChem CID 50779901) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
PubChem CID50779901
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
SMILESCOc1nc2cc(C)c(C)cc2nc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-11-8-15-16(9-12(11)2)23-19(25-3)17(22-15)18(24)21-10-13-4-6-14(20)7-5-13/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyKNJPDZKYFFWDKJ-UHFFFAOYSA-N
XLogP3.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide (CID 50779901) is N-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide is COc1nc2cc(C)c(C)cc2nc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide?
The InChIKey is KNJPDZKYFFWDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-11-8-15-16(9-12(11)2)23-19(25-3)17(22-15)18(24)21-10-13-4-6-14(20)7-5-13/h4-9H,10H2,1-3H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide is sourced from PubChem (CID 50779901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).