2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C18H17Cl2FN2O — CID 156907181

IUPAC2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESO=C(CCl)N1CCCc2cc(NCc3ccc(F)cc3Cl)ccc21
InChIInChI=1S/C18H17Cl2FN2O/c19-10-18(24)23-7-1-2-12-8-15(5-6-17(12)23)22-11-13-3-4-14(21)9-16(13)20/h3-6,8-9,22H,1-2,7,10-11H2
InChIKeyOAOTYZBHACZHLK-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.61
Rot. Bonds4

About 2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 156907181) has the molecular formula C18H17Cl2FN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is 2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID156907181
Molecular FormulaC18H17Cl2FN2O
Molecular Weight367.25 g/mol
Exact Mass366.07
IUPAC Name2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESO=C(CCl)N1CCCc2cc(NCc3ccc(F)cc3Cl)ccc21
InChIInChI=1S/C18H17Cl2FN2O/c19-10-18(24)23-7-1-2-12-8-15(5-6-17(12)23)22-11-13-3-4-14(21)9-16(13)20/h3-6,8-9,22H,1-2,7,10-11H2
InChIKeyOAOTYZBHACZHLK-UHFFFAOYSA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 156907181) is 2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is O=C(CCl)N1CCCc2cc(NCc3ccc(F)cc3Cl)ccc21.
What is the InChIKey of 2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is OAOTYZBHACZHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O/c19-10-18(24)23-7-1-2-12-8-15(5-6-17(12)23)22-11-13-3-4-14(21)9-16(13)20/h3-6,8-9,22H,1-2,7,10-11H2.
What are the key properties of 2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 367.25 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[6-[(2-chloro-4-fluorophenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 156907181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).