4-methyl-2-[(E)-2-phenylethenyl]quinoline

C18H15N — CID 6144426

IUPAC4-methyl-2-[(E)-2-phenylethenyl]quinoline
SMILESCc1cc(/C=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H15N/c1-14-13-16(12-11-15-7-3-2-4-8-15)19-18-10-6-5-9-17(14)18/h2-13H,1H3/b12-11+
InChIKeyMPMZSHBASKBPKF-VAWYXSNFSA-N
MW245.33 g/mol
LogP4.71
Rot. Bonds2

About 4-methyl-2-[(E)-2-phenylethenyl]quinoline

4-methyl-2-[(E)-2-phenylethenyl]quinoline (PubChem CID 6144426) has the molecular formula C18H15N and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-methyl-2-[(E)-2-phenylethenyl]quinoline.

Molecular Properties

Compound Name4-methyl-2-[(E)-2-phenylethenyl]quinoline
PubChem CID6144426
Molecular FormulaC18H15N
Molecular Weight245.33 g/mol
Exact Mass245.12
IUPAC Name4-methyl-2-[(E)-2-phenylethenyl]quinoline
SMILESCc1cc(/C=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H15N/c1-14-13-16(12-11-15-7-3-2-4-8-15)19-18-10-6-5-9-17(14)18/h2-13H,1H3/b12-11+
InChIKeyMPMZSHBASKBPKF-VAWYXSNFSA-N
XLogP4.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(E)-2-phenylethenyl]quinoline?
The IUPAC name of 4-methyl-2-[(E)-2-phenylethenyl]quinoline (CID 6144426) is 4-methyl-2-[(E)-2-phenylethenyl]quinoline.
What is the SMILES notation for 4-methyl-2-[(E)-2-phenylethenyl]quinoline?
The canonical SMILES for 4-methyl-2-[(E)-2-phenylethenyl]quinoline is Cc1cc(/C=C/c2ccccc2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-[(E)-2-phenylethenyl]quinoline?
The InChIKey is MPMZSHBASKBPKF-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H15N/c1-14-13-16(12-11-15-7-3-2-4-8-15)19-18-10-6-5-9-17(14)18/h2-13H,1H3/b12-11+.
What are the key properties of 4-methyl-2-[(E)-2-phenylethenyl]quinoline?
4-methyl-2-[(E)-2-phenylethenyl]quinoline has a molecular weight of 245.33 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(E)-2-phenylethenyl]quinoline is sourced from PubChem (CID 6144426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).