11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline

C24H16BrN — CID 3480514

IUPAC11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline
SMILESCc1ccc2c(c1)-c1nc3ccccc3cc1C2=Cc1ccc(Br)cc1
InChIInChI=1S/C24H16BrN/c1-15-6-11-19-20(13-16-7-9-18(25)10-8-16)22-14-17-4-2-3-5-23(17)26-24(22)21(19)12-15/h2-14H,1H3
InChIKeyDWRADOYUDPGUMG-UHFFFAOYSA-N
MW398.30 g/mol
LogP6.88
Rot. Bonds1

About 11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline

11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline (PubChem CID 3480514) has the molecular formula C24H16BrN and a molecular weight of 398.30 g/mol. Its IUPAC name is 11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline.

Molecular Properties

Compound Name11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline
PubChem CID3480514
Molecular FormulaC24H16BrN
Molecular Weight398.30 g/mol
Exact Mass397.05
IUPAC Name11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline
SMILESCc1ccc2c(c1)-c1nc3ccccc3cc1C2=Cc1ccc(Br)cc1
InChIInChI=1S/C24H16BrN/c1-15-6-11-19-20(13-16-7-9-18(25)10-8-16)22-14-17-4-2-3-5-23(17)26-24(22)21(19)12-15/h2-14H,1H3
InChIKeyDWRADOYUDPGUMG-UHFFFAOYSA-N
XLogP6.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.30
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline?
The IUPAC name of 11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline (CID 3480514) is 11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline.
What is the SMILES notation for 11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline?
The canonical SMILES for 11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline is Cc1ccc2c(c1)-c1nc3ccccc3cc1C2=Cc1ccc(Br)cc1.
What is the InChIKey of 11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline?
The InChIKey is DWRADOYUDPGUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN/c1-15-6-11-19-20(13-16-7-9-18(25)10-8-16)22-14-17-4-2-3-5-23(17)26-24(22)21(19)12-15/h2-14H,1H3.
What are the key properties of 11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline?
11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline has a molecular weight of 398.30 g/mol, XLogP of 6.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline is sourced from PubChem (CID 3480514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).