6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline

C35H27Cl2N3 — CID 3119270

IUPAC6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline
SMILESClc1ccc2nc(-c3c(N4CCCCC4)nc4ccc(Cl)cc4c3-c3ccccc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C35H27Cl2N3/c36-25-14-16-30-28(20-25)27(23-10-4-1-5-11-23)22-32(38-30)34-33(24-12-6-2-7-13-24)29-21-26(37)15-17-31(29)39-35(34)40-18-8-3-9-19-40/h1-2,4-7,10-17,20-22H,3,8-9,18-19H2
InChIKeyYCKLEUSEODKOAZ-UHFFFAOYSA-N
MW560.53 g/mol
LogP10.08
Rot. Bonds4

About 6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline

6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline (PubChem CID 3119270) has the molecular formula C35H27Cl2N3 and a molecular weight of 560.53 g/mol. Its IUPAC name is 6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline.

Molecular Properties

Compound Name6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline
PubChem CID3119270
Molecular FormulaC35H27Cl2N3
Molecular Weight560.53 g/mol
Exact Mass559.16
IUPAC Name6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline
SMILESClc1ccc2nc(-c3c(N4CCCCC4)nc4ccc(Cl)cc4c3-c3ccccc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C35H27Cl2N3/c36-25-14-16-30-28(20-25)27(23-10-4-1-5-11-23)22-32(38-30)34-33(24-12-6-2-7-13-24)29-21-26(37)15-17-31(29)39-35(34)40-18-8-3-9-19-40/h1-2,4-7,10-17,20-22H,3,8-9,18-19H2
InChIKeyYCKLEUSEODKOAZ-UHFFFAOYSA-N
XLogP10.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.53
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline?
The IUPAC name of 6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline (CID 3119270) is 6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline.
What is the SMILES notation for 6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline?
The canonical SMILES for 6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline is Clc1ccc2nc(-c3c(N4CCCCC4)nc4ccc(Cl)cc4c3-c3ccccc3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline?
The InChIKey is YCKLEUSEODKOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27Cl2N3/c36-25-14-16-30-28(20-25)27(23-10-4-1-5-11-23)22-32(38-30)34-33(24-12-6-2-7-13-24)29-21-26(37)15-17-31(29)39-35(34)40-18-8-3-9-19-40/h1-2,4-7,10-17,20-22H,3,8-9,18-19H2.
What are the key properties of 6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline?
6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline has a molecular weight of 560.53 g/mol, XLogP of 10.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline is sourced from PubChem (CID 3119270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).