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

C30H32Cl2N2O — CID 54586271

IUPAC7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline
SMILESCc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccc(Cl)cc4)c(Cl)cc3NC2)c1
InChIInChI=1S/C30H32Cl2N2O/c1-19-13-20(2)15-22(14-19)27-18-34-29-17-28(32)25(21-6-8-23(31)9-7-21)16-26(29)30(27)35-12-10-24-5-3-4-11-33-24/h6-9,13-17,24,33-34H,3-5,10-12,18H2,1-2H3
InChIKeyYWHXYUQIWYAANP-UHFFFAOYSA-N
MW507.51 g/mol
LogP8.12
Rot. Bonds6

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

7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline (PubChem CID 54586271) has the molecular formula C30H32Cl2N2O and a molecular weight of 507.51 g/mol. Its IUPAC name is 7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline.

Molecular Properties

Compound Name7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline
PubChem CID54586271
Molecular FormulaC30H32Cl2N2O
Molecular Weight507.51 g/mol
Exact Mass506.19
IUPAC Name7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline
SMILESCc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccc(Cl)cc4)c(Cl)cc3NC2)c1
InChIInChI=1S/C30H32Cl2N2O/c1-19-13-20(2)15-22(14-19)27-18-34-29-17-28(32)25(21-6-8-23(31)9-7-21)16-26(29)30(27)35-12-10-24-5-3-4-11-33-24/h6-9,13-17,24,33-34H,3-5,10-12,18H2,1-2H3
InChIKeyYWHXYUQIWYAANP-UHFFFAOYSA-N
XLogP8.12
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.51
LogP ≤ 58.12
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-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline?
The IUPAC name of 7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline (CID 54586271) is 7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline.
What is the SMILES notation for 7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline?
The canonical SMILES for 7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline is Cc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccc(Cl)cc4)c(Cl)cc3NC2)c1.
What is the InChIKey of 7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline?
The InChIKey is YWHXYUQIWYAANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N2O/c1-19-13-20(2)15-22(14-19)27-18-34-29-17-28(32)25(21-6-8-23(31)9-7-21)16-26(29)30(27)35-12-10-24-5-3-4-11-33-24/h6-9,13-17,24,33-34H,3-5,10-12,18H2,1-2H3.
What are the key properties of 7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline?
7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline has a molecular weight of 507.51 g/mol, XLogP of 8.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-1,2-dihydroquinoline is sourced from PubChem (CID 54586271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).