7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine

C23H18ClF2N — CID 123327159

IUPAC7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine
SMILESCC1=CC2=CCC=CN2C=C1c1cccc(C)c1-c1cc(Cl)c(F)cc1F
InChIInChI=1S/C23H18ClF2N/c1-14-6-5-8-17(23(14)18-11-20(24)22(26)12-21(18)25)19-13-27-9-4-3-7-16(27)10-15(19)2/h4-13H,3H2,1-2H3
InChIKeyHUTICCKYNXDDEY-UHFFFAOYSA-N
MW381.85 g/mol
LogP7.00
Rot. Bonds2

About 7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine

7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine (PubChem CID 123327159) has the molecular formula C23H18ClF2N and a molecular weight of 381.85 g/mol. Its IUPAC name is 7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine.

Molecular Properties

Compound Name7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine
PubChem CID123327159
Molecular FormulaC23H18ClF2N
Molecular Weight381.85 g/mol
Exact Mass381.11
IUPAC Name7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine
SMILESCC1=CC2=CCC=CN2C=C1c1cccc(C)c1-c1cc(Cl)c(F)cc1F
InChIInChI=1S/C23H18ClF2N/c1-14-6-5-8-17(23(14)18-11-20(24)22(26)12-21(18)25)19-13-27-9-4-3-7-16(27)10-15(19)2/h4-13H,3H2,1-2H3
InChIKeyHUTICCKYNXDDEY-UHFFFAOYSA-N
XLogP7.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.85
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine?
The IUPAC name of 7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine (CID 123327159) is 7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine.
What is the SMILES notation for 7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine?
The canonical SMILES for 7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine is CC1=CC2=CCC=CN2C=C1c1cccc(C)c1-c1cc(Cl)c(F)cc1F.
What is the InChIKey of 7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine?
The InChIKey is HUTICCKYNXDDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N/c1-14-6-5-8-17(23(14)18-11-20(24)22(26)12-21(18)25)19-13-27-9-4-3-7-16(27)10-15(19)2/h4-13H,3H2,1-2H3.
What are the key properties of 7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine?
7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine has a molecular weight of 381.85 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine is sourced from PubChem (CID 123327159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).