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

C31H34N4O — CID 68933020

IUPACN-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3nccc(Nc4ccc(N5CCN(C6CCCC6)CC5)cc4)c3c2)cc1
InChIInChI=1S/C31H34N4O/c1-36-28-13-6-23(7-14-28)24-8-15-30-29(22-24)31(16-17-32-30)33-25-9-11-27(12-10-25)35-20-18-34(19-21-35)26-4-2-3-5-26/h6-17,22,26H,2-5,18-21H2,1H3,(H,32,33)
InChIKeyNPKSDPBQWJXJNU-UHFFFAOYSA-N
MW478.64 g/mol
LogP6.72
Rot. Bonds6

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

N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine (PubChem CID 68933020) has the molecular formula C31H34N4O and a molecular weight of 478.64 g/mol. Its IUPAC name is N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine
PubChem CID68933020
Molecular FormulaC31H34N4O
Molecular Weight478.64 g/mol
Exact Mass478.27
IUPAC NameN-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3nccc(Nc4ccc(N5CCN(C6CCCC6)CC5)cc4)c3c2)cc1
InChIInChI=1S/C31H34N4O/c1-36-28-13-6-23(7-14-28)24-8-15-30-29(22-24)31(16-17-32-30)33-25-9-11-27(12-10-25)35-20-18-34(19-21-35)26-4-2-3-5-26/h6-17,22,26H,2-5,18-21H2,1H3,(H,32,33)
InChIKeyNPKSDPBQWJXJNU-UHFFFAOYSA-N
XLogP6.72
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
CID 1070294
N-(4-(3-(piperidin-1-yl)propoxy)phenethyl)-5,6,7,8-tetrahydroacridin-9-amine
CID 11004759
[(4-{2-[(2R)-Piperidin-2-yl]ethoxy}quinoline-3,6-diyl)dibenzene-3,1-diyl]dimethanol
CID 52936831
1,2-Ethanediamine, N'-(2-(4-methoxyphenyl)-4-quinolinyl)-N,N-dimethyl-
CID 453054
(3S,4R)-4-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)-N-(quinolin-7-ylmethyl)piperidin-3-amine
CID 23647858
{3-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-propyl}-quinolin-4-yl-amine; Oxalic acid
CID 10949464
{2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-ethyl}-quinolin-4-yl-amine; Oxalic acid
CID 11003651
5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 45486360
(-)-(S)-6-(Propyl(2-(4-(quinolin-4-yl)piperazin-1-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 45486364
8-[4-[4-(5-methoxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1,2,3,4-tetrahydroacridin-9-amine
CID 145962768
4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
CID 18435986
N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxy-quinolin-4-amine
CID 25003426

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine?
The IUPAC name of N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine (CID 68933020) is N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine.
What is the SMILES notation for N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine?
The canonical SMILES for N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine is COc1ccc(-c2ccc3nccc(Nc4ccc(N5CCN(C6CCCC6)CC5)cc4)c3c2)cc1.
What is the InChIKey of N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine?
The InChIKey is NPKSDPBQWJXJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O/c1-36-28-13-6-23(7-14-28)24-8-15-30-29(22-24)31(16-17-32-30)33-25-9-11-27(12-10-25)35-20-18-34(19-21-35)26-4-2-3-5-26/h6-17,22,26H,2-5,18-21H2,1H3,(H,32,33).
What are the key properties of N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine?
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine has a molecular weight of 478.64 g/mol, XLogP of 6.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 68933020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).