(2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C17H14ClF2NO — CID 889339

IUPAC(2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(F)c(F)c(C(=O)N2CCCc3ccccc32)c1Cl
InChIInChI=1S/C17H14ClF2NO/c1-10-9-12(19)16(20)14(15(10)18)17(22)21-8-4-6-11-5-2-3-7-13(11)21/h2-3,5,7,9H,4,6,8H2,1H3
InChIKeyZBBZYVYMPPHRJA-UHFFFAOYSA-N
MW321.75 g/mol
LogP4.52
Rot. Bonds1

About (2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 889339) has the molecular formula C17H14ClF2NO and a molecular weight of 321.75 g/mol. Its IUPAC name is (2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID889339
Molecular FormulaC17H14ClF2NO
Molecular Weight321.75 g/mol
Exact Mass321.07
IUPAC Name(2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(F)c(F)c(C(=O)N2CCCc3ccccc32)c1Cl
InChIInChI=1S/C17H14ClF2NO/c1-10-9-12(19)16(20)14(15(10)18)17(22)21-8-4-6-11-5-2-3-7-13(11)21/h2-3,5,7,9H,4,6,8H2,1H3
InChIKeyZBBZYVYMPPHRJA-UHFFFAOYSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.75
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 889339) is (2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cc(F)c(F)c(C(=O)N2CCCc3ccccc32)c1Cl.
What is the InChIKey of (2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is ZBBZYVYMPPHRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO/c1-10-9-12(19)16(20)14(15(10)18)17(22)21-8-4-6-11-5-2-3-7-13(11)21/h2-3,5,7,9H,4,6,8H2,1H3.
What are the key properties of (2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 321.75 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 889339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).