7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine

C24H28ClN3 — CID 72703267

IUPAC7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
SMILESCc1ccc(/N=c2\ccn(CCCN3CCCCC3)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C24H28ClN3/c1-19-6-9-21(10-7-19)26-23-12-17-28(24-18-20(25)8-11-22(23)24)16-5-15-27-13-3-2-4-14-27/h6-12,17-18H,2-5,13-16H2,1H3/b26-23+
InChIKeyPIMSSPXBYCCHTF-WNAAXNPUSA-N
MW393.96 g/mol
LogP5.71
Rot. Bonds5

About 7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine

7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine (PubChem CID 72703267) has the molecular formula C24H28ClN3 and a molecular weight of 393.96 g/mol. Its IUPAC name is 7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine.

Molecular Properties

Compound Name7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
PubChem CID72703267
Molecular FormulaC24H28ClN3
Molecular Weight393.96 g/mol
Exact Mass393.20
IUPAC Name7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
SMILESCc1ccc(/N=c2\ccn(CCCN3CCCCC3)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C24H28ClN3/c1-19-6-9-21(10-7-19)26-23-12-17-28(24-18-20(25)8-11-22(23)24)16-5-15-27-13-3-2-4-14-27/h6-12,17-18H,2-5,13-16H2,1H3/b26-23+
InChIKeyPIMSSPXBYCCHTF-WNAAXNPUSA-N
XLogP5.71
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The IUPAC name of 7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine (CID 72703267) is 7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine.
What is the SMILES notation for 7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The canonical SMILES for 7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine is Cc1ccc(/N=c2\ccn(CCCN3CCCCC3)c3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The InChIKey is PIMSSPXBYCCHTF-WNAAXNPUSA-N. The full InChI is InChI=1S/C24H28ClN3/c1-19-6-9-21(10-7-19)26-23-12-17-28(24-18-20(25)8-11-22(23)24)16-5-15-27-13-3-2-4-14-27/h6-12,17-18H,2-5,13-16H2,1H3/b26-23+.
What are the key properties of 7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine has a molecular weight of 393.96 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-methylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine is sourced from PubChem (CID 72703267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).