2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide

C19H18FN3O — CID 67512152

IUPAC2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2)c(C(C)N)nc2ccc(F)cc12
InChIInChI=1S/C19H18FN3O/c1-11(21)18-16(12-6-4-3-5-7-12)17(19(24)22-2)14-10-13(20)8-9-15(14)23-18/h3-11H,21H2,1-2H3,(H,22,24)
InChIKeyXEHBINDJFONNRW-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.42
Rot. Bonds3

About 2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide

2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide (PubChem CID 67512152) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide
PubChem CID67512152
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2)c(C(C)N)nc2ccc(F)cc12
InChIInChI=1S/C19H18FN3O/c1-11(21)18-16(12-6-4-3-5-7-12)17(19(24)22-2)14-10-13(20)8-9-15(14)23-18/h3-11H,21H2,1-2H3,(H,22,24)
InChIKeyXEHBINDJFONNRW-UHFFFAOYSA-N
XLogP3.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide (CID 67512152) is 2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide is CNC(=O)c1c(-c2ccccc2)c(C(C)N)nc2ccc(F)cc12.
What is the InChIKey of 2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide?
The InChIKey is XEHBINDJFONNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-11(21)18-16(12-6-4-3-5-7-12)17(19(24)22-2)14-10-13(20)8-9-15(14)23-18/h3-11H,21H2,1-2H3,(H,22,24).
What are the key properties of 2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide?
2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide is sourced from PubChem (CID 67512152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).