4,4-dimethyl-9H-selenopheno[2,3-b]quinoline

C13H13NSe — CID 139035352

IUPAC4,4-dimethyl-9H-selenopheno[2,3-b]quinoline
SMILESCC1(C)c2ccccc2Nc2[se]ccc21
InChIInChI=1S/C13H13NSe/c1-13(2)9-5-3-4-6-11(9)14-12-10(13)7-8-15-12/h3-8,14H,1-2H3
InChIKeyVBTXDJNIDQSBJF-UHFFFAOYSA-N
MW262.21 g/mol
LogP3.13
Rot. Bonds

About 4,4-dimethyl-9H-selenopheno[2,3-b]quinoline

4,4-dimethyl-9H-selenopheno[2,3-b]quinoline (PubChem CID 139035352) has the molecular formula C13H13NSe and a molecular weight of 262.21 g/mol. Its IUPAC name is 4,4-dimethyl-9H-selenopheno[2,3-b]quinoline.

Molecular Properties

Compound Name4,4-dimethyl-9H-selenopheno[2,3-b]quinoline
PubChem CID139035352
Molecular FormulaC13H13NSe
Molecular Weight262.21 g/mol
Exact Mass263.02
IUPAC Name4,4-dimethyl-9H-selenopheno[2,3-b]quinoline
SMILESCC1(C)c2ccccc2Nc2[se]ccc21
InChIInChI=1S/C13H13NSe/c1-13(2)9-5-3-4-6-11(9)14-12-10(13)7-8-15-12/h3-8,14H,1-2H3
InChIKeyVBTXDJNIDQSBJF-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine
CID 122400307
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline
CID 155600048
1-chloro-9,9-dimethyl-10H-acridine
CID 151923654
9-ethyl-9-methyl-10H-acridine
CID 22754271
3-butan-2-yl-3-methyl-1H-indol-2-one
CID 70850477
2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol
CID 137395556
(1E,3E)-1,3-bis(3,3-dimethyl-1H-indol-2-ylidene)propan-2-one
CID 89469297
(2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole
CID 142032346
9,9-dibutyl-10H-acridine
CID 22754314
9,9'-spirobi[10H-acridine]
CID 11210173
8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 146609415

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-9H-selenopheno[2,3-b]quinoline?
The IUPAC name of 4,4-dimethyl-9H-selenopheno[2,3-b]quinoline (CID 139035352) is 4,4-dimethyl-9H-selenopheno[2,3-b]quinoline.
What is the SMILES notation for 4,4-dimethyl-9H-selenopheno[2,3-b]quinoline?
The canonical SMILES for 4,4-dimethyl-9H-selenopheno[2,3-b]quinoline is CC1(C)c2ccccc2Nc2[se]ccc21.
What is the InChIKey of 4,4-dimethyl-9H-selenopheno[2,3-b]quinoline?
The InChIKey is VBTXDJNIDQSBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NSe/c1-13(2)9-5-3-4-6-11(9)14-12-10(13)7-8-15-12/h3-8,14H,1-2H3.
What are the key properties of 4,4-dimethyl-9H-selenopheno[2,3-b]quinoline?
4,4-dimethyl-9H-selenopheno[2,3-b]quinoline has a molecular weight of 262.21 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-9H-selenopheno[2,3-b]quinoline is sourced from PubChem (CID 139035352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).