5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol

C18H16N2O — CID 135518122

IUPAC5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol
SMILESCNc1ccc(/C=C/c2ccc3ccccc3n2)c(O)c1
InChIInChI=1S/C18H16N2O/c1-19-16-11-8-14(18(21)12-16)7-10-15-9-6-13-4-2-3-5-17(13)20-15/h2-12,19,21H,1H3/b10-7+
InChIKeyMCHQHFIBIKJTMI-JXMROGBWSA-N
MW276.34 g/mol
LogP4.15
Rot. Bonds3

About 5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol

5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol (PubChem CID 135518122) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol.

Molecular Properties

Compound Name5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol
PubChem CID135518122
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol
SMILESCNc1ccc(/C=C/c2ccc3ccccc3n2)c(O)c1
InChIInChI=1S/C18H16N2O/c1-19-16-11-8-14(18(21)12-16)7-10-15-9-6-13-4-2-3-5-17(13)20-15/h2-12,19,21H,1H3/b10-7+
InChIKeyMCHQHFIBIKJTMI-JXMROGBWSA-N
XLogP4.15
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol?
The IUPAC name of 5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol (CID 135518122) is 5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol.
What is the SMILES notation for 5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol?
The canonical SMILES for 5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol is CNc1ccc(/C=C/c2ccc3ccccc3n2)c(O)c1.
What is the InChIKey of 5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol?
The InChIKey is MCHQHFIBIKJTMI-JXMROGBWSA-N. The full InChI is InChI=1S/C18H16N2O/c1-19-16-11-8-14(18(21)12-16)7-10-15-9-6-13-4-2-3-5-17(13)20-15/h2-12,19,21H,1H3/b10-7+.
What are the key properties of 5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol?
5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol has a molecular weight of 276.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol is sourced from PubChem (CID 135518122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).