9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde

C24H19NOS — CID 154627996

IUPAC9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde
SMILESCC1(C)c2ccccc2N(c2cccc3ccccc23)c2cc(C=O)sc21
InChIInChI=1S/C24H19NOS/c1-24(2)19-11-5-6-12-21(19)25(22-14-17(15-26)27-23(22)24)20-13-7-9-16-8-3-4-10-18(16)20/h3-15H,1-2H3
InChIKeyGXJLMGJYNSGYIJ-UHFFFAOYSA-N
MW369.49 g/mol
LogP6.82
Rot. Bonds2

About 9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde

9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde (PubChem CID 154627996) has the molecular formula C24H19NOS and a molecular weight of 369.49 g/mol. Its IUPAC name is 9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde
PubChem CID154627996
Molecular FormulaC24H19NOS
Molecular Weight369.49 g/mol
Exact Mass369.12
IUPAC Name9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde
SMILESCC1(C)c2ccccc2N(c2cccc3ccccc23)c2cc(C=O)sc21
InChIInChI=1S/C24H19NOS/c1-24(2)19-11-5-6-12-21(19)25(22-14-17(15-26)27-23(22)24)20-13-7-9-16-8-3-4-10-18(16)20/h3-15H,1-2H3
InChIKeyGXJLMGJYNSGYIJ-UHFFFAOYSA-N
XLogP6.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde?
The IUPAC name of 9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde (CID 154627996) is 9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde.
What is the SMILES notation for 9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde?
The canonical SMILES for 9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde is CC1(C)c2ccccc2N(c2cccc3ccccc23)c2cc(C=O)sc21.
What is the InChIKey of 9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde?
The InChIKey is GXJLMGJYNSGYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NOS/c1-24(2)19-11-5-6-12-21(19)25(22-14-17(15-26)27-23(22)24)20-13-7-9-16-8-3-4-10-18(16)20/h3-15H,1-2H3.
What are the key properties of 9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde?
9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde has a molecular weight of 369.49 g/mol, XLogP of 6.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-4-naphthalen-1-ylthieno[3,2-b]quinoline-2-carbaldehyde is sourced from PubChem (CID 154627996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).