3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide

C20H21FN2O2 — CID 138030894

IUPAC3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide
SMILESCC1Cc2cccc(F)c2N(C(=O)c2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C20H21FN2O2/c1-13-10-14-6-5-9-17(21)18(14)23(12-13)20(25)16-8-4-7-15(11-16)19(24)22(2)3/h4-9,11,13H,10,12H2,1-3H3
InChIKeyHSGXNHNBRKRXNZ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.37
Rot. Bonds2

About 3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide

3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide (PubChem CID 138030894) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide
PubChem CID138030894
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide
SMILESCC1Cc2cccc(F)c2N(C(=O)c2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C20H21FN2O2/c1-13-10-14-6-5-9-17(21)18(14)23(12-13)20(25)16-8-4-7-15(11-16)19(24)22(2)3/h4-9,11,13H,10,12H2,1-3H3
InChIKeyHSGXNHNBRKRXNZ-UHFFFAOYSA-N
XLogP3.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide (CID 138030894) is 3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide is CC1Cc2cccc(F)c2N(C(=O)c2cccc(C(=O)N(C)C)c2)C1.
What is the InChIKey of 3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide?
The InChIKey is HSGXNHNBRKRXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-10-14-6-5-9-17(21)18(14)23(12-13)20(25)16-8-4-7-15(11-16)19(24)22(2)3/h4-9,11,13H,10,12H2,1-3H3.
What are the key properties of 3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide?
3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide has a molecular weight of 340.40 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 138030894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).