N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine

C30H32N4 — CID 68936358

IUPACN-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine
SMILESc1ccc(-c2ccc3nccc(Nc4ccc(N5CCN(C6CCCC6)CC5)cc4)c3c2)cc1
InChIInChI=1S/C30H32N4/c1-2-6-23(7-3-1)24-10-15-29-28(22-24)30(16-17-31-29)32-25-11-13-27(14-12-25)34-20-18-33(19-21-34)26-8-4-5-9-26/h1-3,6-7,10-17,22,26H,4-5,8-9,18-21H2,(H,31,32)
InChIKeyNKTCMOWEBUDXKU-UHFFFAOYSA-N
MW448.61 g/mol
LogP6.71
Rot. Bonds5

About N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine

N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine (PubChem CID 68936358) has the molecular formula C30H32N4 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine.

Molecular Properties

Compound NameN-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine
PubChem CID68936358
Molecular FormulaC30H32N4
Molecular Weight448.61 g/mol
Exact Mass448.26
IUPAC NameN-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine
SMILESc1ccc(-c2ccc3nccc(Nc4ccc(N5CCN(C6CCCC6)CC5)cc4)c3c2)cc1
InChIInChI=1S/C30H32N4/c1-2-6-23(7-3-1)24-10-15-29-28(22-24)30(16-17-31-29)32-25-11-13-27(14-12-25)34-20-18-33(19-21-34)26-8-4-5-9-26/h1-3,6-7,10-17,22,26H,4-5,8-9,18-21H2,(H,31,32)
InChIKeyNKTCMOWEBUDXKU-UHFFFAOYSA-N
XLogP6.71
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine
CID 68933020
3-[4-[4-(4-methylpiperazin-1-yl)anilino]quinolin-6-yl]phenol
CID 11611254
6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
CID 11640212
3-[4-[4-[4-(4-methylpiperazin-1-yl)anilino]quinolin-6-yl]phenyl]propanoic acid
CID 11525592
4-(4-anilinoquinolin-6-yl)phenol
CID 122181968
2-[4-(4-piperazin-1-ylanilino)quinolin-6-yl]benzonitrile
CID 91194952
1-cycloheptyl-4-phenylpiperazine
CID 2846720
N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]quinolin-4-amine
CID 6990065
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-6-(1H-indol-4-yl)quinolin-4-amine
CID 68932914
N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine
CID 141441950
6-(4-isocyanophenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]quinolin-4-amine
CID 59834744
1-(4-phenylphenyl)aziridine
CID 152682568

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine?
The IUPAC name of N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine (CID 68936358) is N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine.
What is the SMILES notation for N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine?
The canonical SMILES for N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine is c1ccc(-c2ccc3nccc(Nc4ccc(N5CCN(C6CCCC6)CC5)cc4)c3c2)cc1.
What is the InChIKey of N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine?
The InChIKey is NKTCMOWEBUDXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4/c1-2-6-23(7-3-1)24-10-15-29-28(22-24)30(16-17-31-29)32-25-11-13-27(14-12-25)34-20-18-33(19-21-34)26-8-4-5-9-26/h1-3,6-7,10-17,22,26H,4-5,8-9,18-21H2,(H,31,32).
What are the key properties of N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine?
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine has a molecular weight of 448.61 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine is sourced from PubChem (CID 68936358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).