(4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

C18H25Cl2N3 — CID 92856046

IUPAC(4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCC[C@@H](C)Nc1ccnc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C18H25Cl2N3/c1-4-23(5-2)10-6-7-13(3)22-17-8-9-21-18-15(17)11-14(19)12-16(18)20/h8-9,11-13H,4-7,10H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyNDMBIFUYJMVNEJ-CYBMUJFWSA-N
MW354.33 g/mol
LogP5.46
Rot. Bonds8

About (4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

(4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 92856046) has the molecular formula C18H25Cl2N3 and a molecular weight of 354.33 g/mol. Its IUPAC name is (4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name(4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID92856046
Molecular FormulaC18H25Cl2N3
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name(4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCC[C@@H](C)Nc1ccnc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C18H25Cl2N3/c1-4-23(5-2)10-6-7-13(3)22-17-8-9-21-18-15(17)11-14(19)12-16(18)20/h8-9,11-13H,4-7,10H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyNDMBIFUYJMVNEJ-CYBMUJFWSA-N
XLogP5.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine with MolForge

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Related Compounds

4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
CID 178050529
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine
CID 129362155
1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine
CID 170239569
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
CID 134081808
CID 134081808
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]-1,1,2,2-tetradeuterioethanol
CID 171394724
4-N-(7-chloro-3-tritioquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 10087451
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;phosphoric acid
CID 71586887
2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol
CID 20650144
4-N-(7-bromoquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
CID 21150567

Frequently Asked Questions

What is the IUPAC name of (4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of (4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 92856046) is (4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for (4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for (4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCC[C@@H](C)Nc1ccnc2c(Cl)cc(Cl)cc12.
What is the InChIKey of (4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is NDMBIFUYJMVNEJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25Cl2N3/c1-4-23(5-2)10-6-7-13(3)22-17-8-9-21-18-15(17)11-14(19)12-16(18)20/h8-9,11-13H,4-7,10H2,1-3H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
(4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 354.33 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 92856046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).