(2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C16H13Cl2FN2O — CID 87025666

IUPAC(2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(F)c2c(c1)CCCN2C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C16H13Cl2FN2O/c1-9-5-10-3-2-4-21(15(10)12(19)6-9)16(22)11-7-13(17)20-14(18)8-11/h5-8H,2-4H2,1H3
InChIKeyWRDADLBKHYAUEV-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.43
Rot. Bonds1

About (2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 87025666) has the molecular formula C16H13Cl2FN2O and a molecular weight of 339.20 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID87025666
Molecular FormulaC16H13Cl2FN2O
Molecular Weight339.20 g/mol
Exact Mass338.04
IUPAC Name(2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(F)c2c(c1)CCCN2C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C16H13Cl2FN2O/c1-9-5-10-3-2-4-21(15(10)12(19)6-9)16(22)11-7-13(17)20-14(18)8-11/h5-8H,2-4H2,1H3
InChIKeyWRDADLBKHYAUEV-UHFFFAOYSA-N
XLogP4.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 126797241
N-tert-butyl-2-chloro-5-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
CID 55768745
(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(7-chloro-1,3-benzodioxol-5-yl)methanone
CID 51131803
(3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 82877379
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide
CID 78871449
1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione
CID 47045966
3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one
CID 55881647
N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 55881140
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 134002037
(2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one
CID 95625279
3-[3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 55768585
(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 55881783

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 87025666) is (2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cc(F)c2c(c1)CCCN2C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is WRDADLBKHYAUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O/c1-9-5-10-3-2-4-21(15(10)12(19)6-9)16(22)11-7-13(17)20-14(18)8-11/h5-8H,2-4H2,1H3.
What are the key properties of (2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 339.20 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 87025666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).