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

C29H30ClN3 — CID 72703064

IUPAC7-chloro-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
SMILESClc1ccc2/c(=N/c3ccc(-c4ccccc4)cc3)ccn(CCCN3CCCCC3)c2c1
InChIInChI=1S/C29H30ClN3/c30-25-12-15-27-28(31-26-13-10-24(11-14-26)23-8-3-1-4-9-23)16-21-33(29(27)22-25)20-7-19-32-17-5-2-6-18-32/h1,3-4,8-16,21-22H,2,5-7,17-20H2/b31-28+
InChIKeyGETFYCVLZLKASO-CCFHIKDMSA-N
MW456.03 g/mol
LogP7.07
Rot. Bonds6

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

7-chloro-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine (PubChem CID 72703064) has the molecular formula C29H30ClN3 and a molecular weight of 456.03 g/mol. Its IUPAC name is 7-chloro-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine.

Molecular Properties

Compound Name7-chloro-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
PubChem CID72703064
Molecular FormulaC29H30ClN3
Molecular Weight456.03 g/mol
Exact Mass455.21
IUPAC Name7-chloro-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
SMILESClc1ccc2/c(=N/c3ccc(-c4ccccc4)cc3)ccn(CCCN3CCCCC3)c2c1
InChIInChI=1S/C29H30ClN3/c30-25-12-15-27-28(31-26-13-10-24(11-14-26)23-8-3-1-4-9-23)16-21-33(29(27)22-25)20-7-19-32-17-5-2-6-18-32/h1,3-4,8-16,21-22H,2,5-7,17-20H2/b31-28+
InChIKeyGETFYCVLZLKASO-CCFHIKDMSA-N
XLogP7.07
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.03
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 10338126
Butyl-[7-chloro-1-(3-phenyl-propyl)-1H-quinolin-(4E)-ylidene]-amine
CID 10247467
[7-Chloro-1-(3,4-dichloro-benzyl)-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 23276937
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-propyl-amine
CID 9796735
1-benzyl-7-chloro-N-propylquinolin-4-imine;hydrochloride
CID 9884639
2-[[7-chloro-1-[(2-chlorophenyl)methyl]quinolin-4-ylidene]amino]-N,N-diethylethanamine
CID 44298555
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-isobutyl-amine
CID 44298601
[7-Chloro-1-(4-chloro-benzyl)-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 44298968
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-pentyl-amine
CID 9974422
[1-(4-Chloro-benzyl)-6-trifluoromethyl-1H-quinolin-(4E)-ylidene]-pentyl-amine
CID 10250802
[1-(4-Chloro-benzyl)-8-fluoro-1H-quinolin-(4E)-ylidene]-pentyl-amine
CID 10428385
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-octyl-amine
CID 44298588

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The IUPAC name of 7-chloro-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine (CID 72703064) is 7-chloro-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine.
What is the SMILES notation for 7-chloro-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The canonical SMILES for 7-chloro-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine is Clc1ccc2/c(=N/c3ccc(-c4ccccc4)cc3)ccn(CCCN3CCCCC3)c2c1.
What is the InChIKey of 7-chloro-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The InChIKey is GETFYCVLZLKASO-CCFHIKDMSA-N. The full InChI is InChI=1S/C29H30ClN3/c30-25-12-15-27-28(31-26-13-10-24(11-14-26)23-8-3-1-4-9-23)16-21-33(29(27)22-25)20-7-19-32-17-5-2-6-18-32/h1,3-4,8-16,21-22H,2,5-7,17-20H2/b31-28+.
What are the key properties of 7-chloro-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
7-chloro-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine has a molecular weight of 456.03 g/mol, XLogP of 7.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine is sourced from PubChem (CID 72703064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).