9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole

C30H30N4 — CID 118736748

IUPAC9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C=C/c3cc(N4CCN(C)CC4)c4ccccc4n3)ccc21
InChIInChI=1S/C30H30N4/c1-3-34-28-11-7-5-8-24(28)26-20-22(13-15-29(26)34)12-14-23-21-30(33-18-16-32(2)17-19-33)25-9-4-6-10-27(25)31-23/h4-15,20-21H,3,16-19H2,1-2H3/b14-12+
InChIKeyHLUSBDLDFPDOKU-WYMLVPIESA-N
MW446.60 g/mol
LogP6.28
Rot. Bonds4

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

9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole (PubChem CID 118736748) has the molecular formula C30H30N4 and a molecular weight of 446.60 g/mol. Its IUPAC name is 9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole
PubChem CID118736748
Molecular FormulaC30H30N4
Molecular Weight446.60 g/mol
Exact Mass446.25
IUPAC Name9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C=C/c3cc(N4CCN(C)CC4)c4ccccc4n3)ccc21
InChIInChI=1S/C30H30N4/c1-3-34-28-11-7-5-8-24(28)26-20-22(13-15-29(26)34)12-14-23-21-30(33-18-16-32(2)17-19-33)25-9-4-6-10-27(25)31-23/h4-15,20-21H,3,16-19H2,1-2H3/b14-12+
InChIKeyHLUSBDLDFPDOKU-WYMLVPIESA-N
XLogP6.28
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole?
The IUPAC name of 9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole (CID 118736748) is 9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole is CCn1c2ccccc2c2cc(/C=C/c3cc(N4CCN(C)CC4)c4ccccc4n3)ccc21.
What is the InChIKey of 9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole?
The InChIKey is HLUSBDLDFPDOKU-WYMLVPIESA-N. The full InChI is InChI=1S/C30H30N4/c1-3-34-28-11-7-5-8-24(28)26-20-22(13-15-29(26)34)12-14-23-21-30(33-18-16-32(2)17-19-33)25-9-4-6-10-27(25)31-23/h4-15,20-21H,3,16-19H2,1-2H3/b14-12+.
What are the key properties of 9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole?
9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole has a molecular weight of 446.60 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(E)-2-[4-(4-methylpiperazin-1-yl)quinolin-2-yl]ethenyl]carbazole is sourced from PubChem (CID 118736748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).