2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide

C20H24FN3O — CID 70497301

IUPAC2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide
SMILESCN(C)c1cccc(C2CC(C)(C)c3cc(F)cc(C(N)=O)c3N2)c1
InChIInChI=1S/C20H24FN3O/c1-20(2)11-17(12-6-5-7-14(8-12)24(3)4)23-18-15(19(22)25)9-13(21)10-16(18)20/h5-10,17,23H,11H2,1-4H3,(H2,22,25)
InChIKeyQTAABBWVIUYNKY-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.83
Rot. Bonds3

About 2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide

2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide (PubChem CID 70497301) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide
PubChem CID70497301
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide
SMILESCN(C)c1cccc(C2CC(C)(C)c3cc(F)cc(C(N)=O)c3N2)c1
InChIInChI=1S/C20H24FN3O/c1-20(2)11-17(12-6-5-7-14(8-12)24(3)4)23-18-15(19(22)25)9-13(21)10-16(18)20/h5-10,17,23H,11H2,1-4H3,(H2,22,25)
InChIKeyQTAABBWVIUYNKY-UHFFFAOYSA-N
XLogP3.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide (CID 70497301) is 2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide is CN(C)c1cccc(C2CC(C)(C)c3cc(F)cc(C(N)=O)c3N2)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide?
The InChIKey is QTAABBWVIUYNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-20(2)11-17(12-6-5-7-14(8-12)24(3)4)23-18-15(19(22)25)9-13(21)10-16(18)20/h5-10,17,23H,11H2,1-4H3,(H2,22,25).
What are the key properties of 2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide?
2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenyl]-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-8-carboxamide is sourced from PubChem (CID 70497301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).