7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline

C30H33ClN2O — CID 54586272

IUPAC7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline
SMILESCc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccccc4)c(Cl)cc3NC2)c1
InChIInChI=1S/C30H33ClN2O/c1-20-14-21(2)16-23(15-20)27-19-33-29-18-28(31)25(22-8-4-3-5-9-22)17-26(29)30(27)34-13-11-24-10-6-7-12-32-24/h3-5,8-9,14-18,24,32-33H,6-7,10-13,19H2,1-2H3
InChIKeyMRYYDCIBVWPZNW-UHFFFAOYSA-N
MW473.06 g/mol
LogP7.47
Rot. Bonds6

About 7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline

7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline (PubChem CID 54586272) has the molecular formula C30H33ClN2O and a molecular weight of 473.06 g/mol. Its IUPAC name is 7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline.

Molecular Properties

Compound Name7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline
PubChem CID54586272
Molecular FormulaC30H33ClN2O
Molecular Weight473.06 g/mol
Exact Mass472.23
IUPAC Name7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline
SMILESCc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccccc4)c(Cl)cc3NC2)c1
InChIInChI=1S/C30H33ClN2O/c1-20-14-21(2)16-23(15-20)27-19-33-29-18-28(31)25(22-8-4-3-5-9-22)17-26(29)30(27)34-13-11-24-10-6-7-12-32-24/h3-5,8-9,14-18,24,32-33H,6-7,10-13,19H2,1-2H3
InChIKeyMRYYDCIBVWPZNW-UHFFFAOYSA-N
XLogP7.47
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.06
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline?
The IUPAC name of 7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline (CID 54586272) is 7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline.
What is the SMILES notation for 7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline?
The canonical SMILES for 7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline is Cc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccccc4)c(Cl)cc3NC2)c1.
What is the InChIKey of 7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline?
The InChIKey is MRYYDCIBVWPZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN2O/c1-20-14-21(2)16-23(15-20)27-19-33-29-18-28(31)25(22-8-4-3-5-9-22)17-26(29)30(27)34-13-11-24-10-6-7-12-32-24/h3-5,8-9,14-18,24,32-33H,6-7,10-13,19H2,1-2H3.
What are the key properties of 7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline?
7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline has a molecular weight of 473.06 g/mol, XLogP of 7.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline is sourced from PubChem (CID 54586272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).