N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

C26H28ClN7O — CID 155564072

IUPACN-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCc1cc(N(CCNc2ccnc3cc(Cl)ccc23)Cc2ccccn2)nc(N2CCOCC2)n1
InChIInChI=1S/C26H28ClN7O/c1-19-16-25(32-26(31-19)33-12-14-35-15-13-33)34(18-21-4-2-3-8-28-21)11-10-30-23-7-9-29-24-17-20(27)5-6-22(23)24/h2-9,16-17H,10-15,18H2,1H3,(H,29,30)
InChIKeyZTXILORJGRTJCY-UHFFFAOYSA-N
MW490.01 g/mol
LogP4.34
Rot. Bonds8

About N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 155564072) has the molecular formula C26H28ClN7O and a molecular weight of 490.01 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID155564072
Molecular FormulaC26H28ClN7O
Molecular Weight490.01 g/mol
Exact Mass489.20
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCc1cc(N(CCNc2ccnc3cc(Cl)ccc23)Cc2ccccn2)nc(N2CCOCC2)n1
InChIInChI=1S/C26H28ClN7O/c1-19-16-25(32-26(31-19)33-12-14-35-15-13-33)34(18-21-4-2-3-8-28-21)11-10-30-23-7-9-29-24-17-20(27)5-6-22(23)24/h2-9,16-17H,10-15,18H2,1H3,(H,29,30)
InChIKeyZTXILORJGRTJCY-UHFFFAOYSA-N
XLogP4.34
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 155564072) is N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is Cc1cc(N(CCNc2ccnc3cc(Cl)ccc23)Cc2ccccn2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ZTXILORJGRTJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O/c1-19-16-25(32-26(31-19)33-12-14-35-15-13-33)34(18-21-4-2-3-8-28-21)11-10-30-23-7-9-29-24-17-20(27)5-6-22(23)24/h2-9,16-17H,10-15,18H2,1H3,(H,29,30).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 490.01 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 155564072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).