4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine

C20H24N4S — CID 89148339

IUPAC4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine
SMILESCC1=C(N)C(C)(C)CC(Nc2nc3cc(N)ccc3c3sccc23)C1
InChIInChI=1S/C20H24N4S/c1-11-8-13(10-20(2,3)18(11)22)23-19-15-6-7-25-17(15)14-5-4-12(21)9-16(14)24-19/h4-7,9,13H,8,10,21-22H2,1-3H3,(H,23,24)
InChIKeyPHQDDBDQXGPYFU-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.86
Rot. Bonds2

About 4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine

4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine (PubChem CID 89148339) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is 4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine
PubChem CID89148339
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine
SMILESCC1=C(N)C(C)(C)CC(Nc2nc3cc(N)ccc3c3sccc23)C1
InChIInChI=1S/C20H24N4S/c1-11-8-13(10-20(2,3)18(11)22)23-19-15-6-7-25-17(15)14-5-4-12(21)9-16(14)24-19/h4-7,9,13H,8,10,21-22H2,1-3H3,(H,23,24)
InChIKeyPHQDDBDQXGPYFU-UHFFFAOYSA-N
XLogP4.86
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine?
The IUPAC name of 4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine (CID 89148339) is 4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine?
The canonical SMILES for 4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine is CC1=C(N)C(C)(C)CC(Nc2nc3cc(N)ccc3c3sccc23)C1.
What is the InChIKey of 4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine?
The InChIKey is PHQDDBDQXGPYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-11-8-13(10-20(2,3)18(11)22)23-19-15-6-7-25-17(15)14-5-4-12(21)9-16(14)24-19/h4-7,9,13H,8,10,21-22H2,1-3H3,(H,23,24).
What are the key properties of 4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine?
4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine has a molecular weight of 352.51 g/mol, XLogP of 4.86, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-amino-3,5,5-trimethylcyclohex-3-en-1-yl)thieno[3,2-c]quinoline-4,7-diamine is sourced from PubChem (CID 89148339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).