5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine

C20H22ClN5 — CID 62706335

IUPAC5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine
SMILESClc1ccc2c(Nc3ccc(NCCN4CCCC4)nc3)ccnc2c1
InChIInChI=1S/C20H22ClN5/c21-15-3-5-17-18(7-8-22-19(17)13-15)25-16-4-6-20(24-14-16)23-9-12-26-10-1-2-11-26/h3-8,13-14H,1-2,9-12H2,(H,22,25)(H,23,24)
InChIKeyXBTVWMJBFJFGLP-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.53
Rot. Bonds6

About 5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine

5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine (PubChem CID 62706335) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine
PubChem CID62706335
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine
SMILESClc1ccc2c(Nc3ccc(NCCN4CCCC4)nc3)ccnc2c1
InChIInChI=1S/C20H22ClN5/c21-15-3-5-17-18(7-8-22-19(17)13-15)25-16-4-6-20(24-14-16)23-9-12-26-10-1-2-11-26/h3-8,13-14H,1-2,9-12H2,(H,22,25)(H,23,24)
InChIKeyXBTVWMJBFJFGLP-UHFFFAOYSA-N
XLogP4.53
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine (CID 62706335) is 5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine is Clc1ccc2c(Nc3ccc(NCCN4CCCC4)nc3)ccnc2c1.
What is the InChIKey of 5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine?
The InChIKey is XBTVWMJBFJFGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c21-15-3-5-17-18(7-8-22-19(17)13-15)25-16-4-6-20(24-14-16)23-9-12-26-10-1-2-11-26/h3-8,13-14H,1-2,9-12H2,(H,22,25)(H,23,24).
What are the key properties of 5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine?
5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine has a molecular weight of 367.88 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(7-chloroquinolin-4-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 62706335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).