8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline

C31H27ClN2 — CID 10183196

IUPAC8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline
SMILESCC(C)c1cc(-c2cccc(C(Cc3ccncc3)c3ccc(Cl)cc3)c2)c2ncccc2c1
InChIInChI=1S/C31H27ClN2/c1-21(2)27-19-26-7-4-14-34-31(26)30(20-27)25-6-3-5-24(18-25)29(17-22-12-15-33-16-13-22)23-8-10-28(32)11-9-23/h3-16,18-21,29H,17H2,1-2H3
InChIKeyWKUVVAFTNFZIQC-UHFFFAOYSA-N
MW463.02 g/mol
LogP8.45
Rot. Bonds6

About 8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline

8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline (PubChem CID 10183196) has the molecular formula C31H27ClN2 and a molecular weight of 463.02 g/mol. Its IUPAC name is 8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline.

Molecular Properties

Compound Name8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline
PubChem CID10183196
Molecular FormulaC31H27ClN2
Molecular Weight463.02 g/mol
Exact Mass462.19
IUPAC Name8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline
SMILESCC(C)c1cc(-c2cccc(C(Cc3ccncc3)c3ccc(Cl)cc3)c2)c2ncccc2c1
InChIInChI=1S/C31H27ClN2/c1-21(2)27-19-26-7-4-14-34-31(26)30(20-27)25-6-3-5-24(18-25)29(17-22-12-15-33-16-13-22)23-8-10-28(32)11-9-23/h3-16,18-21,29H,17H2,1-2H3
InChIKeyWKUVVAFTNFZIQC-UHFFFAOYSA-N
XLogP8.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.02
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 122262
CID 122262
CID 11239948
CID 11239948
CID 668053
CID 668053
CID 620711
CID 620711
CID 2781550
CID 2781550
CID 7275193
CID 7275193
CID 521963
CID 521963
CID 10404815
CID 10404815
CID 1405133
CID 1405133
CID 10354294
CID 10354294
CID 24950183
CID 24950183
CID 70673567
CID 70673567

Frequently Asked Questions

What is the IUPAC name of 8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline?
The IUPAC name of 8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline (CID 10183196) is 8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline.
What is the SMILES notation for 8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline?
The canonical SMILES for 8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline is CC(C)c1cc(-c2cccc(C(Cc3ccncc3)c3ccc(Cl)cc3)c2)c2ncccc2c1.
What is the InChIKey of 8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline?
The InChIKey is WKUVVAFTNFZIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN2/c1-21(2)27-19-26-7-4-14-34-31(26)30(20-27)25-6-3-5-24(18-25)29(17-22-12-15-33-16-13-22)23-8-10-28(32)11-9-23/h3-16,18-21,29H,17H2,1-2H3.
What are the key properties of 8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline?
8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline has a molecular weight of 463.02 g/mol, XLogP of 8.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[1-(4-chlorophenyl)-2-pyridin-4-ylethyl]phenyl]-6-propan-2-ylquinoline is sourced from PubChem (CID 10183196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).