9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole

C30H29N3 — CID 118736749

IUPAC9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C=C/c3cc(N4CCCCC4)c4ccccc4n3)ccc21
InChIInChI=1S/C30H29N3/c1-2-33-28-13-7-5-10-24(28)26-20-22(15-17-29(26)33)14-16-23-21-30(32-18-8-3-9-19-32)25-11-4-6-12-27(25)31-23/h4-7,10-17,20-21H,2-3,8-9,18-19H2,1H3/b16-14+
InChIKeyDVQZIKTZOYWSFQ-JQIJEIRASA-N
MW431.58 g/mol
LogP7.52
Rot. Bonds4

About 9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole

9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole (PubChem CID 118736749) has the molecular formula C30H29N3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole
PubChem CID118736749
Molecular FormulaC30H29N3
Molecular Weight431.58 g/mol
Exact Mass431.24
IUPAC Name9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C=C/c3cc(N4CCCCC4)c4ccccc4n3)ccc21
InChIInChI=1S/C30H29N3/c1-2-33-28-13-7-5-10-24(28)26-20-22(15-17-29(26)33)14-16-23-21-30(32-18-8-3-9-19-32)25-11-4-6-12-27(25)31-23/h4-7,10-17,20-21H,2-3,8-9,18-19H2,1H3/b16-14+
InChIKeyDVQZIKTZOYWSFQ-JQIJEIRASA-N
XLogP7.52
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole?
The IUPAC name of 9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole (CID 118736749) is 9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole is CCn1c2ccccc2c2cc(/C=C/c3cc(N4CCCCC4)c4ccccc4n3)ccc21.
What is the InChIKey of 9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole?
The InChIKey is DVQZIKTZOYWSFQ-JQIJEIRASA-N. The full InChI is InChI=1S/C30H29N3/c1-2-33-28-13-7-5-10-24(28)26-20-22(15-17-29(26)33)14-16-23-21-30(32-18-8-3-9-19-32)25-11-4-6-12-27(25)31-23/h4-7,10-17,20-21H,2-3,8-9,18-19H2,1H3/b16-14+.
What are the key properties of 9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole?
9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole has a molecular weight of 431.58 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(E)-2-(4-piperidin-1-ylquinolin-2-yl)ethenyl]carbazole is sourced from PubChem (CID 118736749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).