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

C15H16Cl2FNO — CID 2971206

IUPAC(2,2-dichloro-1-methylcyclopropyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C15H16Cl2FNO/c1-9-3-4-10-7-11(18)5-6-12(10)19(9)13(20)14(2)8-15(14,16)17/h5-7,9H,3-4,8H2,1-2H3
InChIKeyHJBOIBHMZAMTKV-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.08
Rot. Bonds1

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

(2,2-dichloro-1-methylcyclopropyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 2971206) has the molecular formula C15H16Cl2FNO and a molecular weight of 316.20 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID2971206
Molecular FormulaC15H16Cl2FNO
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name(2,2-dichloro-1-methylcyclopropyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C15H16Cl2FNO/c1-9-3-4-10-7-11(18)5-6-12(10)19(9)13(20)14(2)8-15(14,16)17/h5-7,9H,3-4,8H2,1-2H3
InChIKeyHJBOIBHMZAMTKV-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 2971206) is (2,2-dichloro-1-methylcyclopropyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCc2cc(F)ccc2N1C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is HJBOIBHMZAMTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2FNO/c1-9-3-4-10-7-11(18)5-6-12(10)19(9)13(20)14(2)8-15(14,16)17/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of (2,2-dichloro-1-methylcyclopropyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2,2-dichloro-1-methylcyclopropyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 316.20 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 2971206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).