N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride

C26H24Cl2N4S2 — CID 11577315

IUPACN,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)nc(NCCCCNc1nc3ccccc3c3sccc13)c1ccsc12
InChIInChI=1S/C26H22N4S2.2ClH/c1-3-9-21-17(7-1)23-19(11-15-31-23)25(29-21)27-13-5-6-14-28-26-20-12-16-32-24(20)18-8-2-4-10-22(18)30-26;;/h1-4,7-12,15-16H,5-6,13-14H2,(H,27,29)(H,28,30);2*1H
InChIKeyPPKAKJQDHNBASP-UHFFFAOYSA-N
MW527.55 g/mol
LogP8.36
Rot. Bonds7

About N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride

N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride (PubChem CID 11577315) has the molecular formula C26H24Cl2N4S2 and a molecular weight of 527.55 g/mol. Its IUPAC name is N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound NameN,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride
PubChem CID11577315
Molecular FormulaC26H24Cl2N4S2
Molecular Weight527.55 g/mol
Exact Mass526.08
IUPAC NameN,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)nc(NCCCCNc1nc3ccccc3c3sccc13)c1ccsc12
InChIInChI=1S/C26H22N4S2.2ClH/c1-3-9-21-17(7-1)23-19(11-15-31-23)25(29-21)27-13-5-6-14-28-26-20-12-16-32-24(20)18-8-2-4-10-22(18)30-26;;/h1-4,7-12,15-16H,5-6,13-14H2,(H,27,29)(H,28,30);2*1H
InChIKeyPPKAKJQDHNBASP-UHFFFAOYSA-N
XLogP8.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.55
LogP ≤ 58.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine
CID 89148329
4-chlorothieno[3,2-c]quinoline
CID 11701333
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
6-[(2-thiophen-2-ylquinazolin-4-yl)amino]hexanoic acid
CID 91964437
2,6-bis(pyrrolidin-1-ylmethyl)-4-(thieno[3,2-c]quinolin-4-ylamino)phenol;trihydrochloride
CID 11570460
N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143858026
4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
CID 106847076
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine
CID 69232334
4-N-(3-methylsulfonylpropyl)quinazoline-2,4-diamine
CID 80812152
4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid
CID 107853406

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride?
The IUPAC name of N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride (CID 11577315) is N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride.
What is the SMILES notation for N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride?
The canonical SMILES for N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride is Cl.Cl.c1ccc2c(c1)nc(NCCCCNc1nc3ccccc3c3sccc13)c1ccsc12.
What is the InChIKey of N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride?
The InChIKey is PPKAKJQDHNBASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4S2.2ClH/c1-3-9-21-17(7-1)23-19(11-15-31-23)25(29-21)27-13-5-6-14-28-26-20-12-16-32-24(20)18-8-2-4-10-22(18)30-26;;/h1-4,7-12,15-16H,5-6,13-14H2,(H,27,29)(H,28,30);2*1H.
What are the key properties of N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride?
N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride has a molecular weight of 527.55 g/mol, XLogP of 8.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 11577315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).