methyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate

C17H14FNO2 — CID 164676604

IUPACmethyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate
SMILESCOC(=O)C1=C(c2cccc(F)c2)Nc2ccccc2C1
InChIInChI=1S/C17H14FNO2/c1-21-17(20)14-10-11-5-2-3-8-15(11)19-16(14)12-6-4-7-13(18)9-12/h2-9,19H,10H2,1H3
InChIKeyYKQLALPNUUYUBO-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.38
Rot. Bonds2

About methyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate

methyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate (PubChem CID 164676604) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate
PubChem CID164676604
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Namemethyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate
SMILESCOC(=O)C1=C(c2cccc(F)c2)Nc2ccccc2C1
InChIInChI=1S/C17H14FNO2/c1-21-17(20)14-10-11-5-2-3-8-15(11)19-16(14)12-6-4-7-13(18)9-12/h2-9,19H,10H2,1H3
InChIKeyYKQLALPNUUYUBO-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate?
The IUPAC name of methyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate (CID 164676604) is methyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate is COC(=O)C1=C(c2cccc(F)c2)Nc2ccccc2C1.
What is the InChIKey of methyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate?
The InChIKey is YKQLALPNUUYUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-21-17(20)14-10-11-5-2-3-8-15(11)19-16(14)12-6-4-7-13(18)9-12/h2-9,19H,10H2,1H3.
What are the key properties of methyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate?
methyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate has a molecular weight of 283.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-1,4-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 164676604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).