(2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol

C29H35Cl2N5O2 — CID 71470223

IUPAC(2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol
SMILESCN(CCC[C@H](CO)Nc1ccnc2cc(Cl)ccc12)CCC[C@H](CO)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C29H35Cl2N5O2/c1-36(14-2-4-22(18-37)34-26-10-12-32-28-16-20(30)6-8-24(26)28)15-3-5-23(19-38)35-27-11-13-33-29-17-21(31)7-9-25(27)29/h6-13,16-17,22-23,37-38H,2-5,14-15,18-19H2,1H3,(H,32,34)(H,33,35)/t22-,23-/m1/s1
InChIKeyUYHOQJUGJGTCJR-DHIUTWEWSA-N
MW556.54 g/mol
LogP5.83
Rot. Bonds14

About (2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol

(2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol (PubChem CID 71470223) has the molecular formula C29H35Cl2N5O2 and a molecular weight of 556.54 g/mol. Its IUPAC name is (2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol
PubChem CID71470223
Molecular FormulaC29H35Cl2N5O2
Molecular Weight556.54 g/mol
Exact Mass555.22
IUPAC Name(2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol
SMILESCN(CCC[C@H](CO)Nc1ccnc2cc(Cl)ccc12)CCC[C@H](CO)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C29H35Cl2N5O2/c1-36(14-2-4-22(18-37)34-26-10-12-32-28-16-20(30)6-8-24(26)28)15-3-5-23(19-38)35-27-11-13-33-29-17-21(31)7-9-25(27)29/h6-13,16-17,22-23,37-38H,2-5,14-15,18-19H2,1H3,(H,32,34)(H,33,35)/t22-,23-/m1/s1
InChIKeyUYHOQJUGJGTCJR-DHIUTWEWSA-N
XLogP5.83
TPSA93.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.54
LogP ≤ 55.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol?
The IUPAC name of (2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol (CID 71470223) is (2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol.
What is the SMILES notation for (2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol?
The canonical SMILES for (2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol is CN(CCC[C@H](CO)Nc1ccnc2cc(Cl)ccc12)CCC[C@H](CO)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of (2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol?
The InChIKey is UYHOQJUGJGTCJR-DHIUTWEWSA-N. The full InChI is InChI=1S/C29H35Cl2N5O2/c1-36(14-2-4-22(18-37)34-26-10-12-32-28-16-20(30)6-8-24(26)28)15-3-5-23(19-38)35-27-11-13-33-29-17-21(31)7-9-25(27)29/h6-13,16-17,22-23,37-38H,2-5,14-15,18-19H2,1H3,(H,32,34)(H,33,35)/t22-,23-/m1/s1.
What are the key properties of (2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol?
(2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol has a molecular weight of 556.54 g/mol, XLogP of 5.83, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol is sourced from PubChem (CID 71470223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).