4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline

C23H23ClN2 — CID 145292266

IUPAC4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline
SMILESC=Cc1ccc2c(Cl)cc(-c3ccc(C(C)N4CCCC4)cc3)nc2c1
InChIInChI=1S/C23H23ClN2/c1-3-17-6-11-20-21(24)15-22(25-23(20)14-17)19-9-7-18(8-10-19)16(2)26-12-4-5-13-26/h3,6-11,14-16H,1,4-5,12-13H2,2H3
InChIKeyZXBDIVZLHLQSMN-UHFFFAOYSA-N
MW362.90 g/mol
LogP6.36
Rot. Bonds4

About 4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline

4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline (PubChem CID 145292266) has the molecular formula C23H23ClN2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline.

Molecular Properties

Compound Name4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline
PubChem CID145292266
Molecular FormulaC23H23ClN2
Molecular Weight362.90 g/mol
Exact Mass362.15
IUPAC Name4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline
SMILESC=Cc1ccc2c(Cl)cc(-c3ccc(C(C)N4CCCC4)cc3)nc2c1
InChIInChI=1S/C23H23ClN2/c1-3-17-6-11-20-21(24)15-22(25-23(20)14-17)19-9-7-18(8-10-19)16(2)26-12-4-5-13-26/h3,6-11,14-16H,1,4-5,12-13H2,2H3
InChIKeyZXBDIVZLHLQSMN-UHFFFAOYSA-N
XLogP6.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.90
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline?
The IUPAC name of 4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline (CID 145292266) is 4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline.
What is the SMILES notation for 4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline?
The canonical SMILES for 4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline is C=Cc1ccc2c(Cl)cc(-c3ccc(C(C)N4CCCC4)cc3)nc2c1.
What is the InChIKey of 4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline?
The InChIKey is ZXBDIVZLHLQSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2/c1-3-17-6-11-20-21(24)15-22(25-23(20)14-17)19-9-7-18(8-10-19)16(2)26-12-4-5-13-26/h3,6-11,14-16H,1,4-5,12-13H2,2H3.
What are the key properties of 4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline?
4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline has a molecular weight of 362.90 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline is sourced from PubChem (CID 145292266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).