9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine

C14H17N3O3S — CID 71154039

IUPAC9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine
SMILESCOCCNc1c(N)cnc2ccc3c(c12)CCS3(=O)=O
InChIInChI=1S/C14H17N3O3S/c1-20-6-5-16-14-10(15)8-17-11-2-3-12-9(13(11)14)4-7-21(12,18)19/h2-3,8H,4-7,15H2,1H3,(H,16,17)
InChIKeyXNAUZTBFYMGPLW-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.21
Rot. Bonds4

About 9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine

9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine (PubChem CID 71154039) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine.

Molecular Properties

Compound Name9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine
PubChem CID71154039
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine
SMILESCOCCNc1c(N)cnc2ccc3c(c12)CCS3(=O)=O
InChIInChI=1S/C14H17N3O3S/c1-20-6-5-16-14-10(15)8-17-11-2-3-12-9(13(11)14)4-7-21(12,18)19/h2-3,8H,4-7,15H2,1H3,(H,16,17)
InChIKeyXNAUZTBFYMGPLW-UHFFFAOYSA-N
XLogP1.21
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine with MolForge

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Related Compounds

3,3-dioxo-9-(propan-2-ylamino)-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid
CID 69020110
4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
CID 103963149
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
6-bromo-4-N-(2-methylsulfonylethyl)quinoline-3,4-diamine
CID 54934689
3-fluoro-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255758
3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 167734117
3-amino-2-(2-methoxyethylamino)benzoic acid
CID 112577611
4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine
CID 106394501
2-[(3-amino-6-bromoquinolin-4-yl)amino]ethylurea
CID 83116009
2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 103963088
N-(2-methoxyethyl)-5,5-dioxo-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-amine
CID 63049908
5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 79021487

Frequently Asked Questions

What is the IUPAC name of 9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine?
The IUPAC name of 9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine (CID 71154039) is 9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine.
What is the SMILES notation for 9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine?
The canonical SMILES for 9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine is COCCNc1c(N)cnc2ccc3c(c12)CCS3(=O)=O.
What is the InChIKey of 9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine?
The InChIKey is XNAUZTBFYMGPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-6-5-16-14-10(15)8-17-11-2-3-12-9(13(11)14)4-7-21(12,18)19/h2-3,8H,4-7,15H2,1H3,(H,16,17).
What are the key properties of 9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine?
9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine has a molecular weight of 307.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-(2-methoxyethyl)-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8,9-diamine is sourced from PubChem (CID 71154039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).