7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine

C21H25ClN4O2 — CID 51041299

IUPAC7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCOCCOCCNCc3ccncc3)ccnc2c1
InChIInChI=1S/C21H25ClN4O2/c22-18-1-2-19-20(5-8-25-21(19)15-18)26-10-12-28-14-13-27-11-9-24-16-17-3-6-23-7-4-17/h1-8,15,24H,9-14,16H2,(H,25,26)
InChIKeyIBGOERTZCZGQRY-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.52
Rot. Bonds12

About 7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine

7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine (PubChem CID 51041299) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine
PubChem CID51041299
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCOCCOCCNCc3ccncc3)ccnc2c1
InChIInChI=1S/C21H25ClN4O2/c22-18-1-2-19-20(5-8-25-21(19)15-18)26-10-12-28-14-13-27-11-9-24-16-17-3-6-23-7-4-17/h1-8,15,24H,9-14,16H2,(H,25,26)
InChIKeyIBGOERTZCZGQRY-UHFFFAOYSA-N
XLogP3.52
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine with MolForge

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Related Compounds

N-(2-butoxyethyl)-7-chloroquinolin-4-amine
CID 61175681
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
CID 66549609
CID 66549609
methyl N,N-bis[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]carbamate
CID 155355426
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine
CID 71761856
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine
CID 166183159
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
N'-(7-chloroquinolin-4-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethane-1,2-diamine
CID 71594262
N'-(7-chloroquinolin-4-yl)-N-[(4-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 71761858
CID 10433026
CID 10433026
N-butyl-7-chloroquinolin-4-amine
CID 10037042

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine (CID 51041299) is 7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine is Clc1ccc2c(NCCOCCOCCNCc3ccncc3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine?
The InChIKey is IBGOERTZCZGQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c22-18-1-2-19-20(5-8-25-21(19)15-18)26-10-12-28-14-13-27-11-9-24-16-17-3-6-23-7-4-17/h1-8,15,24H,9-14,16H2,(H,25,26).
What are the key properties of 7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine?
7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine has a molecular weight of 400.91 g/mol, XLogP of 3.52, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine is sourced from PubChem (CID 51041299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).