6-chloro-2-methyl-4-phenyl-3-propylquinoline

C19H18ClN — CID 2439854

IUPAC6-chloro-2-methyl-4-phenyl-3-propylquinoline
SMILESCCCc1c(C)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C19H18ClN/c1-3-7-16-13(2)21-18-11-10-15(20)12-17(18)19(16)14-8-5-4-6-9-14/h4-6,8-12H,3,7H2,1-2H3
InChIKeyUBUIRDLWSMEPPB-UHFFFAOYSA-N
MW295.81 g/mol
LogP5.82
Rot. Bonds3

About 6-chloro-2-methyl-4-phenyl-3-propylquinoline

6-chloro-2-methyl-4-phenyl-3-propylquinoline (PubChem CID 2439854) has the molecular formula C19H18ClN and a molecular weight of 295.81 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-phenyl-3-propylquinoline.

Molecular Properties

Compound Name6-chloro-2-methyl-4-phenyl-3-propylquinoline
PubChem CID2439854
Molecular FormulaC19H18ClN
Molecular Weight295.81 g/mol
Exact Mass295.11
IUPAC Name6-chloro-2-methyl-4-phenyl-3-propylquinoline
SMILESCCCc1c(C)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C19H18ClN/c1-3-7-16-13(2)21-18-11-10-15(20)12-17(18)19(16)14-8-5-4-6-9-14/h4-6,8-12H,3,7H2,1-2H3
InChIKeyUBUIRDLWSMEPPB-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.81
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-phenyl-3-propylquinoline?
The IUPAC name of 6-chloro-2-methyl-4-phenyl-3-propylquinoline (CID 2439854) is 6-chloro-2-methyl-4-phenyl-3-propylquinoline.
What is the SMILES notation for 6-chloro-2-methyl-4-phenyl-3-propylquinoline?
The canonical SMILES for 6-chloro-2-methyl-4-phenyl-3-propylquinoline is CCCc1c(C)nc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 6-chloro-2-methyl-4-phenyl-3-propylquinoline?
The InChIKey is UBUIRDLWSMEPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN/c1-3-7-16-13(2)21-18-11-10-15(20)12-17(18)19(16)14-8-5-4-6-9-14/h4-6,8-12H,3,7H2,1-2H3.
What are the key properties of 6-chloro-2-methyl-4-phenyl-3-propylquinoline?
6-chloro-2-methyl-4-phenyl-3-propylquinoline has a molecular weight of 295.81 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-phenyl-3-propylquinoline is sourced from PubChem (CID 2439854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).