7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine

C29H30Cl2N4 — CID 11995957

IUPAC7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine
SMILESClc1ccc(N(c2ccccc2)C2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C29H30Cl2N4/c30-22-7-10-25(11-8-22)35(24-5-2-1-3-6-24)26-14-19-34(20-15-26)18-4-16-32-28-13-17-33-29-21-23(31)9-12-27(28)29/h1-3,5-13,17,21,26H,4,14-16,18-20H2,(H,32,33)
InChIKeyPHQOHTQQQZTLHW-UHFFFAOYSA-N
MW505.49 g/mol
LogP7.65
Rot. Bonds8

About 7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine

7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine (PubChem CID 11995957) has the molecular formula C29H30Cl2N4 and a molecular weight of 505.49 g/mol. Its IUPAC name is 7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine
PubChem CID11995957
Molecular FormulaC29H30Cl2N4
Molecular Weight505.49 g/mol
Exact Mass504.18
IUPAC Name7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine
SMILESClc1ccc(N(c2ccccc2)C2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C29H30Cl2N4/c30-22-7-10-25(11-8-22)35(24-5-2-1-3-6-24)26-14-19-34(20-15-26)18-4-16-32-28-13-17-33-29-21-23(31)9-12-27(28)29/h1-3,5-13,17,21,26H,4,14-16,18-20H2,(H,32,33)
InChIKeyPHQOHTQQQZTLHW-UHFFFAOYSA-N
XLogP7.65
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.49
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine
CID 58476711
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 46929448
N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 11997893
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
N-[3-[4-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538
7-chloro-N-[3-[4-[1H-imidazol-2-ylmethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]quinolin-4-amine
CID 58476694
4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline
CID 162055250
7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 11048809
7-chloro-N-[3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 46240744

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine (CID 11995957) is 7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine is Clc1ccc(N(c2ccccc2)C2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1.
What is the InChIKey of 7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine?
The InChIKey is PHQOHTQQQZTLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30Cl2N4/c30-22-7-10-25(11-8-22)35(24-5-2-1-3-6-24)26-14-19-34(20-15-26)18-4-16-32-28-13-17-33-29-21-23(31)9-12-27(28)29/h1-3,5-13,17,21,26H,4,14-16,18-20H2,(H,32,33).
What are the key properties of 7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine?
7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine has a molecular weight of 505.49 g/mol, XLogP of 7.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine is sourced from PubChem (CID 11995957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).