(2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol

C24H25Cl2N5O — CID 71470224

IUPAC(2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol
SMILESCN(CCNc1ccnc2cc(Cl)ccc12)C[C@H](CO)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C24H25Cl2N5O/c1-31(11-10-29-21-6-8-27-23-12-16(25)2-4-19(21)23)14-18(15-32)30-22-7-9-28-24-13-17(26)3-5-20(22)24/h2-9,12-13,18,32H,10-11,14-15H2,1H3,(H,27,29)(H,28,30)/t18-/m1/s1
InChIKeyDHOBSZZIURYVFM-GOSISDBHSA-N
MW470.40 g/mol
LogP4.91
Rot. Bonds9

About (2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol

(2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol (PubChem CID 71470224) has the molecular formula C24H25Cl2N5O and a molecular weight of 470.40 g/mol. Its IUPAC name is (2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol
PubChem CID71470224
Molecular FormulaC24H25Cl2N5O
Molecular Weight470.40 g/mol
Exact Mass469.14
IUPAC Name(2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol
SMILESCN(CCNc1ccnc2cc(Cl)ccc12)C[C@H](CO)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C24H25Cl2N5O/c1-31(11-10-29-21-6-8-27-23-12-16(25)2-4-19(21)23)14-18(15-32)30-22-7-9-28-24-13-17(26)3-5-20(22)24/h2-9,12-13,18,32H,10-11,14-15H2,1H3,(H,27,29)(H,28,30)/t18-/m1/s1
InChIKeyDHOBSZZIURYVFM-GOSISDBHSA-N
XLogP4.91
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
(2R)-2-[(7-chloroquinolin-4-yl)amino]-5-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]-5-hydroxypentyl]-methylamino]pentan-1-ol
CID 71470223
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol
CID 114094467
N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine
CID 160577871
N-butyl-7-chloroquinolin-4-amine
CID 10037042
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
4-N-(7-chloroquinolin-4-yl)-2-N-methylbutane-1,2,4-triamine;trihydrochloride
CID 158881167
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol (CID 71470224) is (2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol is CN(CCNc1ccnc2cc(Cl)ccc12)C[C@H](CO)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of (2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol?
The InChIKey is DHOBSZZIURYVFM-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25Cl2N5O/c1-31(11-10-29-21-6-8-27-23-12-16(25)2-4-19(21)23)14-18(15-32)30-22-7-9-28-24-13-17(26)3-5-20(22)24/h2-9,12-13,18,32H,10-11,14-15H2,1H3,(H,27,29)(H,28,30)/t18-/m1/s1.
What are the key properties of (2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol?
(2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol has a molecular weight of 470.40 g/mol, XLogP of 4.91, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol is sourced from PubChem (CID 71470224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).