7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol

C17H13ClN2O — CID 141228959

IUPAC7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol
SMILESNc1cc(Cl)c2ccc(/C=C/c3ccccc3)nc2c1O
InChIInChI=1S/C17H13ClN2O/c18-14-10-15(19)17(21)16-13(14)9-8-12(20-16)7-6-11-4-2-1-3-5-11/h1-10,21H,19H2/b7-6+
InChIKeyITHSCTORQOYFTH-VOTSOKGWSA-N
MW296.76 g/mol
LogP4.35
Rot. Bonds2

About 7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol

7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol (PubChem CID 141228959) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol.

Molecular Properties

Compound Name7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol
PubChem CID141228959
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol
SMILESNc1cc(Cl)c2ccc(/C=C/c3ccccc3)nc2c1O
InChIInChI=1S/C17H13ClN2O/c18-14-10-15(19)17(21)16-13(14)9-8-12(20-16)7-6-11-4-2-1-3-5-11/h1-10,21H,19H2/b7-6+
InChIKeyITHSCTORQOYFTH-VOTSOKGWSA-N
XLogP4.35
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol?
The IUPAC name of 7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol (CID 141228959) is 7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol.
What is the SMILES notation for 7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol?
The canonical SMILES for 7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol is Nc1cc(Cl)c2ccc(/C=C/c3ccccc3)nc2c1O.
What is the InChIKey of 7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol?
The InChIKey is ITHSCTORQOYFTH-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-14-10-15(19)17(21)16-13(14)9-8-12(20-16)7-6-11-4-2-1-3-5-11/h1-10,21H,19H2/b7-6+.
What are the key properties of 7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol?
7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol has a molecular weight of 296.76 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol is sourced from PubChem (CID 141228959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).