2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene

C28H32ClF2NO2 — CID 142470244

IUPAC2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene
SMILESC=O.C=O.CN1c2cc(F)ccc2CCC1CCc1ccc(F)cc1Cl.Cc1ccc(C)cc1
InChIInChI=1S/C18H18ClF2N.C8H10.2CH2O/c1-22-16(8-4-12-2-6-14(20)10-17(12)19)9-5-13-3-7-15(21)11-18(13)22;1-7-3-5-8(2)6-4-7;2*1-2/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3;3-6H,1-2H3;2*1H2
InChIKeyZZQIGWYFTRGHMC-UHFFFAOYSA-N
MW488.02 g/mol
LogP6.94
Rot. Bonds3

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

2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene (PubChem CID 142470244) has the molecular formula C28H32ClF2NO2 and a molecular weight of 488.02 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene.

Molecular Properties

Compound Name2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene
PubChem CID142470244
Molecular FormulaC28H32ClF2NO2
Molecular Weight488.02 g/mol
Exact Mass487.21
IUPAC Name2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene
SMILESC=O.C=O.CN1c2cc(F)ccc2CCC1CCc1ccc(F)cc1Cl.Cc1ccc(C)cc1
InChIInChI=1S/C18H18ClF2N.C8H10.2CH2O/c1-22-16(8-4-12-2-6-14(20)10-17(12)19)9-5-13-3-7-15(21)11-18(13)22;1-7-3-5-8(2)6-4-7;2*1-2/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3;3-6H,1-2H3;2*1H2
InChIKeyZZQIGWYFTRGHMC-UHFFFAOYSA-N
XLogP6.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.02
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene with MolForge

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Related Compounds

7-fluoro-2-[2-(2-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;2-methylthiophene
CID 142470276
7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-2-ol
CID 146357394
2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
CID 84624761
2-[2-(4-chloro-2-fluorophenyl)ethyl]-7-fluoro-1-[(6-methyl-3-pyridinyl)sulfinyl]-3,4-dihydro-2H-quinoline
CID 142470278
1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 136537667
CID 159121889
CID 159121889
(2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine
CID 176781027
(3aR,7aS)-5-[2-(2-chloro-4-fluorophenyl)acetyl]-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120963737
1-(2-chloro-4-fluorophenyl)-4-methylpentan-3-one
CID 43175852
6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline
CID 22198842
2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 142021420
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22194491

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene?
The IUPAC name of 2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene (CID 142470244) is 2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene.
What is the SMILES notation for 2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene?
The canonical SMILES for 2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene is C=O.C=O.CN1c2cc(F)ccc2CCC1CCc1ccc(F)cc1Cl.Cc1ccc(C)cc1.
What is the InChIKey of 2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene?
The InChIKey is ZZQIGWYFTRGHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2N.C8H10.2CH2O/c1-22-16(8-4-12-2-6-14(20)10-17(12)19)9-5-13-3-7-15(21)11-18(13)22;1-7-3-5-8(2)6-4-7;2*1-2/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3;3-6H,1-2H3;2*1H2.
What are the key properties of 2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene?
2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene has a molecular weight of 488.02 g/mol, XLogP of 6.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-fluorophenyl)ethyl]-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline;formaldehyde;1,4-xylene is sourced from PubChem (CID 142470244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).