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

C26H42ClN5 — CID 11048809

IUPAC7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
SMILESCCCCCCCNCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C26H42ClN5/c1-2-3-4-5-6-12-28-13-7-16-31-18-20-32(21-19-31)17-8-14-29-25-11-15-30-26-22-23(27)9-10-24(25)26/h9-11,15,22,28H,2-8,12-14,16-21H2,1H3,(H,29,30)
InChIKeyPXFWCGNWAXZVFY-UHFFFAOYSA-N
MW460.11 g/mol
LogP5.26
Rot. Bonds15

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

7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine (PubChem CID 11048809) has the molecular formula C26H42ClN5 and a molecular weight of 460.11 g/mol. Its IUPAC name is 7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
PubChem CID11048809
Molecular FormulaC26H42ClN5
Molecular Weight460.11 g/mol
Exact Mass459.31
IUPAC Name7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
SMILESCCCCCCCNCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C26H42ClN5/c1-2-3-4-5-6-12-28-13-7-16-31-18-20-32(21-19-31)17-8-14-29-25-11-15-30-26-22-23(27)9-10-24(25)26/h9-11,15,22,28H,2-8,12-14,16-21H2,1H3,(H,29,30)
InChIKeyPXFWCGNWAXZVFY-UHFFFAOYSA-N
XLogP5.26
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.11
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
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-butyl-7-chloroquinolin-4-amine
CID 10037042
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane
CID 23016541
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 46929448
N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
CID 42705893
7-chloro-N-[5-(3,3-dimethyl-1,2,5-trioxa-9-azaspiro[5.5]undecan-9-yl)pentyl]quinolin-4-amine
CID 88938790
2-[3-[(7-chloroquinolin-4-yl)amino]propylamino]ethanethiol
CID 14522863

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine (CID 11048809) is 7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine is CCCCCCCNCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine?
The InChIKey is PXFWCGNWAXZVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42ClN5/c1-2-3-4-5-6-12-28-13-7-16-31-18-20-32(21-19-31)17-8-14-29-25-11-15-30-26-22-23(27)9-10-24(25)26/h9-11,15,22,28H,2-8,12-14,16-21H2,1H3,(H,29,30).
What are the key properties of 7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine?
7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine has a molecular weight of 460.11 g/mol, XLogP of 5.26, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine is sourced from PubChem (CID 11048809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).