4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine

C34H35N5 — CID 72703487

IUPAC4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine
SMILESc1ccc(-c2ccc(/N=c3\ccn(CCCN4CCCCC4)c4cc(Nc5ccccn5)ccc34)cc2)cc1
InChIInChI=1S/C34H35N5/c1-3-10-27(11-4-1)28-13-15-29(16-14-28)36-32-19-25-39(24-9-23-38-21-7-2-8-22-38)33-26-30(17-18-31(32)33)37-34-12-5-6-20-35-34/h1,3-6,10-20,25-26H,2,7-9,21-24H2,(H,35,37)/b36-32+
InChIKeyIZHYLWDGZNATCU-WIKZRCHHSA-N
MW513.69 g/mol
LogP7.56
Rot. Bonds8

About 4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine

4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine (PubChem CID 72703487) has the molecular formula C34H35N5 and a molecular weight of 513.69 g/mol. Its IUPAC name is 4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine.

Molecular Properties

Compound Name4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine
PubChem CID72703487
Molecular FormulaC34H35N5
Molecular Weight513.69 g/mol
Exact Mass513.29
IUPAC Name4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine
SMILESc1ccc(-c2ccc(/N=c3\ccn(CCCN4CCCCC4)c4cc(Nc5ccccn5)ccc34)cc2)cc1
InChIInChI=1S/C34H35N5/c1-3-10-27(11-4-1)28-13-15-29(16-14-28)36-32-19-25-39(24-9-23-38-21-7-2-8-22-38)33-26-30(17-18-31(32)33)37-34-12-5-6-20-35-34/h1,3-6,10-20,25-26H,2,7-9,21-24H2,(H,35,37)/b36-32+
InChIKeyIZHYLWDGZNATCU-WIKZRCHHSA-N
XLogP7.56
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.69
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine
CID 72703063
4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide
CID 25184428
3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine
CID 70128353
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 70125549
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine
CID 158790277
4-methoxy-N-[4-[[6-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 69134956
N-pyridin-2-yl-3-pyrrolidin-1-ylpropanamide
CID 110688245
4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole
CID 82792591

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine?
The IUPAC name of 4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine (CID 72703487) is 4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine.
What is the SMILES notation for 4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine?
The canonical SMILES for 4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine is c1ccc(-c2ccc(/N=c3\ccn(CCCN4CCCCC4)c4cc(Nc5ccccn5)ccc34)cc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine?
The InChIKey is IZHYLWDGZNATCU-WIKZRCHHSA-N. The full InChI is InChI=1S/C34H35N5/c1-3-10-27(11-4-1)28-13-15-29(16-14-28)36-32-19-25-39(24-9-23-38-21-7-2-8-22-38)33-26-30(17-18-31(32)33)37-34-12-5-6-20-35-34/h1,3-6,10-20,25-26H,2,7-9,21-24H2,(H,35,37)/b36-32+.
What are the key properties of 4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine?
4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine has a molecular weight of 513.69 g/mol, XLogP of 7.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine is sourced from PubChem (CID 72703487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).