7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine

C22H25ClN4 — CID 46241896

IUPAC7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
SMILESClc1ccc2c(NCCCN3CCN(c4ccccc4)CC3)ccnc2c1
InChIInChI=1S/C22H25ClN4/c23-18-7-8-20-21(9-11-25-22(20)17-18)24-10-4-12-26-13-15-27(16-14-26)19-5-2-1-3-6-19/h1-3,5-9,11,17H,4,10,12-16H2,(H,24,25)
InChIKeyRANAESZULQGHTM-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.51
Rot. Bonds6

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

7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine (PubChem CID 46241896) has the molecular formula C22H25ClN4 and a molecular weight of 380.92 g/mol. Its IUPAC name is 7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
PubChem CID46241896
Molecular FormulaC22H25ClN4
Molecular Weight380.92 g/mol
Exact Mass380.18
IUPAC Name7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
SMILESClc1ccc2c(NCCCN3CCN(c4ccccc4)CC3)ccnc2c1
InChIInChI=1S/C22H25ClN4/c23-18-7-8-20-21(9-11-25-22(20)17-18)24-10-4-12-26-13-15-27(16-14-26)19-5-2-1-3-6-19/h1-3,5-9,11,17H,4,10,12-16H2,(H,24,25)
InChIKeyRANAESZULQGHTM-UHFFFAOYSA-N
XLogP4.51
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.51
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

N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 46929448
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-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538
N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 11997893
7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine
CID 11995957
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
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
4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-morpholin-4-yl-2-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 46227112
7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine
CID 157192844
7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine
CID 123368292

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine (CID 46241896) is 7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine is Clc1ccc2c(NCCCN3CCN(c4ccccc4)CC3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine?
The InChIKey is RANAESZULQGHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4/c23-18-7-8-20-21(9-11-25-22(20)17-18)24-10-4-12-26-13-15-27(16-14-26)19-5-2-1-3-6-19/h1-3,5-9,11,17H,4,10,12-16H2,(H,24,25).
What are the key properties of 7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine?
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine has a molecular weight of 380.92 g/mol, XLogP of 4.51, 6 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-phenylpiperazin-1-yl)propyl]quinolin-4-amine is sourced from PubChem (CID 46241896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).