2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide

C14H19FN2O — CID 78871449

IUPAC2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)N(C)C
InChIInChI=1S/C14H19FN2O/c1-10-7-11-5-4-6-17(9-13(18)16(2)3)14(11)12(15)8-10/h7-8H,4-6,9H2,1-3H3
InChIKeyYHYJCRLSQWSLOP-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.97
Rot. Bonds2

About 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide

2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide (PubChem CID 78871449) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide
PubChem CID78871449
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)N(C)C
InChIInChI=1S/C14H19FN2O/c1-10-7-11-5-4-6-17(9-13(18)16(2)3)14(11)12(15)8-10/h7-8H,4-6,9H2,1-3H3
InChIKeyYHYJCRLSQWSLOP-UHFFFAOYSA-N
XLogP1.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide (CID 78871449) is 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide is Cc1cc(F)c2c(c1)CCCN2CC(=O)N(C)C.
What is the InChIKey of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide?
The InChIKey is YHYJCRLSQWSLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-7-11-5-4-6-17(9-13(18)16(2)3)14(11)12(15)8-10/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide?
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide has a molecular weight of 250.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 78871449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).