3-[(Z)-2-naphthalen-2-ylethenyl]quinoline

C21H15N — CID 11300516

IUPAC3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
SMILESC(=C\c1cnc2ccccc2c1)\c1ccc2ccccc2c1
InChIInChI=1S/C21H15N/c1-2-6-19-13-16(11-12-18(19)5-1)9-10-17-14-20-7-3-4-8-21(20)22-15-17/h1-15H/b10-9-
InChIKeyZQQYIPHMRDZIQT-KTKRTIGZSA-N
MW281.36 g/mol
LogP5.56
Rot. Bonds2

About 3-[(Z)-2-naphthalen-2-ylethenyl]quinoline

3-[(Z)-2-naphthalen-2-ylethenyl]quinoline (PubChem CID 11300516) has the molecular formula C21H15N and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(Z)-2-naphthalen-2-ylethenyl]quinoline.

Molecular Properties

Compound Name3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
PubChem CID11300516
Molecular FormulaC21H15N
Molecular Weight281.36 g/mol
Exact Mass281.12
IUPAC Name3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
SMILESC(=C\c1cnc2ccccc2c1)\c1ccc2ccccc2c1
InChIInChI=1S/C21H15N/c1-2-6-19-13-16(11-12-18(19)5-1)9-10-17-14-20-7-3-4-8-21(20)22-15-17/h1-15H/b10-9-
InChIKeyZQQYIPHMRDZIQT-KTKRTIGZSA-N
XLogP5.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.36
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-naphthalen-2-ylethenyl]quinoline?
The IUPAC name of 3-[(Z)-2-naphthalen-2-ylethenyl]quinoline (CID 11300516) is 3-[(Z)-2-naphthalen-2-ylethenyl]quinoline.
What is the SMILES notation for 3-[(Z)-2-naphthalen-2-ylethenyl]quinoline?
The canonical SMILES for 3-[(Z)-2-naphthalen-2-ylethenyl]quinoline is C(=C\c1cnc2ccccc2c1)\c1ccc2ccccc2c1.
What is the InChIKey of 3-[(Z)-2-naphthalen-2-ylethenyl]quinoline?
The InChIKey is ZQQYIPHMRDZIQT-KTKRTIGZSA-N. The full InChI is InChI=1S/C21H15N/c1-2-6-19-13-16(11-12-18(19)5-1)9-10-17-14-20-7-3-4-8-21(20)22-15-17/h1-15H/b10-9-.
What are the key properties of 3-[(Z)-2-naphthalen-2-ylethenyl]quinoline?
3-[(Z)-2-naphthalen-2-ylethenyl]quinoline has a molecular weight of 281.36 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-naphthalen-2-ylethenyl]quinoline is sourced from PubChem (CID 11300516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).