9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine

C18H15N3OS — CID 71154159

IUPAC9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine
SMILESCOC1=CC=CC(=C1)NC2=C3C(=NC=C2N)C=CC4=C3SC=C4
InChIInChI=1S/C18H15N3OS/c1-22-13-4-2-3-12(9-13)21-17-14(19)10-20-15-6-5-11-7-8-23-18(11)16(15)17/h2-10H,19H2,1H3,(H,20,21)
InChIKeyNZNLOYSSWBSYCQ-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.00
Rot. Bonds3

About 9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine

9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine (PubChem CID 71154159) has the molecular formula C18H15N3OS and a molecular weight of 321.40 g/mol. Its IUPAC name is 9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine.

Molecular Properties

Compound Name9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine
PubChem CID71154159
Molecular FormulaC18H15N3OS
Molecular Weight321.40 g/mol
Exact Mass321.09
IUPAC Name9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine
SMILESCOC1=CC=CC(=C1)NC2=C3C(=NC=C2N)C=CC4=C3SC=C4
InChIInChI=1S/C18H15N3OS/c1-22-13-4-2-3-12(9-13)21-17-14(19)10-20-15-6-5-11-7-8-23-18(11)16(15)17/h2-10H,19H2,1H3,(H,20,21)
InChIKeyNZNLOYSSWBSYCQ-UHFFFAOYSA-N
XLogP4.00
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity410

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine?
The IUPAC name of 9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine (CID 71154159) is 9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine.
What is the SMILES notation for 9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine?
The canonical SMILES for 9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine is COC1=CC=CC(=C1)NC2=C3C(=NC=C2N)C=CC4=C3SC=C4.
What is the InChIKey of 9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine?
The InChIKey is NZNLOYSSWBSYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-22-13-4-2-3-12(9-13)21-17-14(19)10-20-15-6-5-11-7-8-23-18(11)16(15)17/h2-10H,19H2,1H3,(H,20,21).
What are the key properties of 9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine?
9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine has a molecular weight of 321.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-(3-methoxyphenyl)thieno[2,3-f]quinoline-8,9-diamine is sourced from PubChem (CID 71154159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).