7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene

C26H32FNO3S — CID 142470276

IUPAC7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene
SMILESC=O.C=O.COc1ccccc1CCC1CCc2ccc(F)cc2N1C.Cc1cccs1
InChIInChI=1S/C19H22FNO.C5H6S.2CH2O/c1-21-17(11-8-14-7-10-16(20)13-18(14)21)12-9-15-5-3-4-6-19(15)22-2;1-5-3-2-4-6-5;2*1-2/h3-7,10,13,17H,8-9,11-12H2,1-2H3;2-4H,1H3;2*1H2
InChIKeyVEBDHVKESDLMOT-UHFFFAOYSA-N
MW457.61 g/mol
LogP5.90
Rot. Bonds4

About 7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene

7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene (PubChem CID 142470276) has the molecular formula C26H32FNO3S and a molecular weight of 457.61 g/mol. Its IUPAC name is 7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene.

Molecular Properties

Compound Name7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene
PubChem CID142470276
Molecular FormulaC26H32FNO3S
Molecular Weight457.61 g/mol
Exact Mass457.21
IUPAC Name7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene
SMILESC=O.C=O.COc1ccccc1CCC1CCc2ccc(F)cc2N1C.Cc1cccs1
InChIInChI=1S/C19H22FNO.C5H6S.2CH2O/c1-21-17(11-8-14-7-10-16(20)13-18(14)21)12-9-15-5-3-4-6-19(15)22-2;1-5-3-2-4-6-5;2*1-2/h3-7,10,13,17H,8-9,11-12H2,1-2H3;2-4H,1H3;2*1H2
InChIKeyVEBDHVKESDLMOT-UHFFFAOYSA-N
XLogP5.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.61
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene?
The IUPAC name of 7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene (CID 142470276) is 7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene.
What is the SMILES notation for 7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene?
The canonical SMILES for 7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene is C=O.C=O.COc1ccccc1CCC1CCc2ccc(F)cc2N1C.Cc1cccs1.
What is the InChIKey of 7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene?
The InChIKey is VEBDHVKESDLMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO.C5H6S.2CH2O/c1-21-17(11-8-14-7-10-16(20)13-18(14)21)12-9-15-5-3-4-6-19(15)22-2;1-5-3-2-4-6-5;2*1-2/h3-7,10,13,17H,8-9,11-12H2,1-2H3;2-4H,1H3;2*1H2.
What are the key properties of 7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene?
7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene has a molecular weight of 457.61 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene is sourced from PubChem (CID 142470276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).