2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid

C30H20N2O7 — CID 11060384

IUPAC2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2ccc(/C=C/c3cc(O)cc(/C=C/c4ccc5ccc(C(=O)O)c(O)c5n4)c3)nc2c1O
InChIInChI=1S/C30H20N2O7/c33-22-14-16(1-7-20-9-3-18-5-11-23(29(36)37)27(34)25(18)31-20)13-17(15-22)2-8-21-10-4-19-6-12-24(30(38)39)28(35)26(19)32-21/h1-15,33-35H,(H,36,37)(H,38,39)/b7-1+,8-2+
InChIKeyOATRQTNJVGIPHU-FACPPWRESA-N
MW520.50 g/mol
LogP5.64
Rot. Bonds6

About 2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid

2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid (PubChem CID 11060384) has the molecular formula C30H20N2O7 and a molecular weight of 520.50 g/mol. Its IUPAC name is 2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid
PubChem CID11060384
Molecular FormulaC30H20N2O7
Molecular Weight520.50 g/mol
Exact Mass520.13
IUPAC Name2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2ccc(/C=C/c3cc(O)cc(/C=C/c4ccc5ccc(C(=O)O)c(O)c5n4)c3)nc2c1O
InChIInChI=1S/C30H20N2O7/c33-22-14-16(1-7-20-9-3-18-5-11-23(29(36)37)27(34)25(18)31-20)13-17(15-22)2-8-21-10-4-19-6-12-24(30(38)39)28(35)26(19)32-21/h1-15,33-35H,(H,36,37)(H,38,39)/b7-1+,8-2+
InChIKeyOATRQTNJVGIPHU-FACPPWRESA-N
XLogP5.64
TPSA161.07 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.50
LogP ≤ 55.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid?
The IUPAC name of 2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid (CID 11060384) is 2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid?
The canonical SMILES for 2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid is O=C(O)c1ccc2ccc(/C=C/c3cc(O)cc(/C=C/c4ccc5ccc(C(=O)O)c(O)c5n4)c3)nc2c1O.
What is the InChIKey of 2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid?
The InChIKey is OATRQTNJVGIPHU-FACPPWRESA-N. The full InChI is InChI=1S/C30H20N2O7/c33-22-14-16(1-7-20-9-3-18-5-11-23(29(36)37)27(34)25(18)31-20)13-17(15-22)2-8-21-10-4-19-6-12-24(30(38)39)28(35)26(19)32-21/h1-15,33-35H,(H,36,37)(H,38,39)/b7-1+,8-2+.
What are the key properties of 2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid?
2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid has a molecular weight of 520.50 g/mol, XLogP of 5.64, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3-[(E)-2-(7-carboxy-8-hydroxyquinolin-2-yl)ethenyl]-5-hydroxyphenyl]ethenyl]-8-hydroxyquinoline-7-carboxylic acid is sourced from PubChem (CID 11060384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).