4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine

C16H20N4S — CID 89148329

IUPAC4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine
SMILESCN(C)CCCNc1nc2cc(N)ccc2c2sccc12
InChIInChI=1S/C16H20N4S/c1-20(2)8-3-7-18-16-13-6-9-21-15(13)12-5-4-11(17)10-14(12)19-16/h4-6,9-10H,3,7-8,17H2,1-2H3,(H,18,19)
InChIKeySEWVGOPDHIUAFB-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.40
Rot. Bonds5

About 4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine

4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine (PubChem CID 89148329) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine
PubChem CID89148329
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine
SMILESCN(C)CCCNc1nc2cc(N)ccc2c2sccc12
InChIInChI=1S/C16H20N4S/c1-20(2)8-3-7-18-16-13-6-9-21-15(13)12-5-4-11(17)10-14(12)19-16/h4-6,9-10H,3,7-8,17H2,1-2H3,(H,18,19)
InChIKeySEWVGOPDHIUAFB-UHFFFAOYSA-N
XLogP3.40
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one
CID 147081982
1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one
CID 160560333
N,N'-bis(thieno[3,2-c]quinolin-4-yl)butane-1,4-diamine;dihydrochloride
CID 11577315
N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143858026
4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine
CID 89148339
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
CID 106036460
9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride
CID 165412452
4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine
CID 89151012
N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24873212
2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 58722838
N-(1-benzothiophen-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114525182
N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine
CID 121453113

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine (CID 89148329) is 4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine is CN(C)CCCNc1nc2cc(N)ccc2c2sccc12.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine?
The InChIKey is SEWVGOPDHIUAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-20(2)8-3-7-18-16-13-6-9-21-15(13)12-5-4-11(17)10-14(12)19-16/h4-6,9-10H,3,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of 4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine?
4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine has a molecular weight of 300.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine is sourced from PubChem (CID 89148329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).