2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol

C19H16N2O — CID 89193765

IUPAC2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol
SMILESC=C(/C=C\c1ccc2cccnc2c1N)c1ccccc1O
InChIInChI=1S/C19H16N2O/c1-13(16-6-2-3-7-17(16)22)8-9-14-10-11-15-5-4-12-21-19(15)18(14)20/h2-12,22H,1,20H2/b9-8-
InChIKeyBRJJZXLUARXMGL-HJWRWDBZSA-N
MW288.35 g/mol
LogP4.25
Rot. Bonds3

About 2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol

2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol (PubChem CID 89193765) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol.

Molecular Properties

Compound Name2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol
PubChem CID89193765
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol
SMILESC=C(/C=C\c1ccc2cccnc2c1N)c1ccccc1O
InChIInChI=1S/C19H16N2O/c1-13(16-6-2-3-7-17(16)22)8-9-14-10-11-15-5-4-12-21-19(15)18(14)20/h2-12,22H,1,20H2/b9-8-
InChIKeyBRJJZXLUARXMGL-HJWRWDBZSA-N
XLogP4.25
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol?
The IUPAC name of 2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol (CID 89193765) is 2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol.
What is the SMILES notation for 2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol?
The canonical SMILES for 2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol is C=C(/C=C\c1ccc2cccnc2c1N)c1ccccc1O.
What is the InChIKey of 2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol?
The InChIKey is BRJJZXLUARXMGL-HJWRWDBZSA-N. The full InChI is InChI=1S/C19H16N2O/c1-13(16-6-2-3-7-17(16)22)8-9-14-10-11-15-5-4-12-21-19(15)18(14)20/h2-12,22H,1,20H2/b9-8-.
What are the key properties of 2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol?
2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol has a molecular weight of 288.35 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol is sourced from PubChem (CID 89193765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).