(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C17H15F2NO — CID 1081717

IUPAC(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCCc3ccccc32)c(F)c1F
InChIInChI=1S/C17H15F2NO/c1-11-8-9-13(16(19)15(11)18)17(21)20-10-4-6-12-5-2-3-7-14(12)20/h2-3,5,7-9H,4,6,10H2,1H3
InChIKeyZVGMHBDEQUVGHD-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.87
Rot. Bonds1

About (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 1081717) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID1081717
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCCc3ccccc32)c(F)c1F
InChIInChI=1S/C17H15F2NO/c1-11-8-9-13(16(19)15(11)18)17(21)20-10-4-6-12-5-2-3-7-14(12)20/h2-3,5,7-9H,4,6,10H2,1H3
InChIKeyZVGMHBDEQUVGHD-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 1081717) is (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc(C(=O)N2CCCc3ccccc32)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is ZVGMHBDEQUVGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-11-8-9-13(16(19)15(11)18)17(21)20-10-4-6-12-5-2-3-7-14(12)20/h2-3,5,7-9H,4,6,10H2,1H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 287.31 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 1081717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).