methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate

C18H15ClFNO3 — CID 142502304

IUPACmethyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CC2
InChIInChI=1S/C18H15ClFNO3/c1-24-18(23)12-6-5-11-7-8-17(22)21(16(11)9-12)10-13-14(19)3-2-4-15(13)20/h2-6,9H,7-8,10H2,1H3
InChIKeyPSYOOVNHHSRAER-UHFFFAOYSA-N
MW347.77 g/mol
LogP3.75
Rot. Bonds3

About methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate

methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate (PubChem CID 142502304) has the molecular formula C18H15ClFNO3 and a molecular weight of 347.77 g/mol. Its IUPAC name is methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate
PubChem CID142502304
Molecular FormulaC18H15ClFNO3
Molecular Weight347.77 g/mol
Exact Mass347.07
IUPAC Namemethyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CC2
InChIInChI=1S/C18H15ClFNO3/c1-24-18(23)12-6-5-11-7-8-17(22)21(16(11)9-12)10-13-14(19)3-2-4-15(13)20/h2-6,9H,7-8,10H2,1H3
InChIKeyPSYOOVNHHSRAER-UHFFFAOYSA-N
XLogP3.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylate
CID 129138321
methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dioxo-3H-2,1-benzothiazole-6-carboxylate
CID 142502435
1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid
CID 146525607
methyl 4-[(2-chloro-6-fluorophenyl)methyl]-2-(chloromethyl)-2-methyl-3-oxo-1,4-benzothiazine-6-carboxylate
CID 142502388
dimethyl 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzene-1,4-dicarboxylate
CID 55361758
methyl (4R)-1-[(2-fluoro-6-methylphenyl)methyl]-3,4-dimethyl-2-oxo-4H-quinazoline-7-carboxylate
CID 166997421
phenacyl 4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylate
CID 166061398
methyl 4-[(7-methylsulfonyloxy-2-oxo-3,4-dihydroquinolin-1-yl)methyl]benzoate
CID 165114030
methyl 4-[(2-chloro-6-fluorophenyl)methylamino]benzoate
CID 43087990
4-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5077617
methyl 4-[(3-chloro-2-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylate
CID 165340774
6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 114930164

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate?
The IUPAC name of methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate (CID 142502304) is methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate.
What is the SMILES notation for methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate?
The canonical SMILES for methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate is COC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CC2.
What is the InChIKey of methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate?
The InChIKey is PSYOOVNHHSRAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO3/c1-24-18(23)12-6-5-11-7-8-17(22)21(16(11)9-12)10-13-14(19)3-2-4-15(13)20/h2-6,9H,7-8,10H2,1H3.
What are the key properties of methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate?
methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate has a molecular weight of 347.77 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate is sourced from PubChem (CID 142502304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).