1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline

C28H24ClN — CID 3719007

IUPAC1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline
SMILESCc1ccc(Cl)cc1N1C2=CCCCC2=C(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C28H24ClN/c1-20-16-17-23(29)18-27(20)30-26-15-9-8-14-24(26)25(21-10-4-2-5-11-21)19-28(30)22-12-6-3-7-13-22/h2-7,10-13,15-19H,8-9,14H2,1H3
InChIKeyFUWHJPDUTYWGOQ-UHFFFAOYSA-N
MW409.96 g/mol
LogP8.03
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline

1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline (PubChem CID 3719007) has the molecular formula C28H24ClN and a molecular weight of 409.96 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline
PubChem CID3719007
Molecular FormulaC28H24ClN
Molecular Weight409.96 g/mol
Exact Mass409.16
IUPAC Name1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline
SMILESCc1ccc(Cl)cc1N1C2=CCCCC2=C(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C28H24ClN/c1-20-16-17-23(29)18-27(20)30-26-15-9-8-14-24(26)25(21-10-4-2-5-11-21)19-28(30)22-12-6-3-7-13-22/h2-7,10-13,15-19H,8-9,14H2,1H3
InChIKeyFUWHJPDUTYWGOQ-UHFFFAOYSA-N
XLogP8.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline (CID 3719007) is 1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline is Cc1ccc(Cl)cc1N1C2=CCCCC2=C(c2ccccc2)C=C1c1ccccc1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline?
The InChIKey is FUWHJPDUTYWGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN/c1-20-16-17-23(29)18-27(20)30-26-15-9-8-14-24(26)25(21-10-4-2-5-11-21)19-28(30)22-12-6-3-7-13-22/h2-7,10-13,15-19H,8-9,14H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline?
1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline has a molecular weight of 409.96 g/mol, XLogP of 8.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline is sourced from PubChem (CID 3719007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).