6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid

C28H19NO4 — CID 10765224

IUPAC6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid
SMILESCc1cc(C(=O)O)c2oc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)cc(=O)c2c1
InChIInChI=1S/C28H19NO4/c1-17-13-22-25(30)16-26(33-27(22)23(14-17)28(31)32)20-7-4-5-18(15-20)9-11-21-12-10-19-6-2-3-8-24(19)29-21/h2-16H,1H3,(H,31,32)/b11-9+
InChIKeyWDOJBYUAZDERPP-PKNBQFBNSA-N
MW433.46 g/mol
LogP6.19
Rot. Bonds4

About 6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid

6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid (PubChem CID 10765224) has the molecular formula C28H19NO4 and a molecular weight of 433.46 g/mol. Its IUPAC name is 6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid
PubChem CID10765224
Molecular FormulaC28H19NO4
Molecular Weight433.46 g/mol
Exact Mass433.13
IUPAC Name6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid
SMILESCc1cc(C(=O)O)c2oc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)cc(=O)c2c1
InChIInChI=1S/C28H19NO4/c1-17-13-22-25(30)16-26(33-27(22)23(14-17)28(31)32)20-7-4-5-18(15-20)9-11-21-12-10-19-6-2-3-8-24(19)29-21/h2-16H,1H3,(H,31,32)/b11-9+
InChIKeyWDOJBYUAZDERPP-PKNBQFBNSA-N
XLogP6.19
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid with MolForge

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Related Compounds

2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
6-Fluoro-2-[2-Methyl-4-Phenoxy-5-(Propan-2-Yl)phenyl]quinoline-4-Carboxylic Acid
CID 71816353
2-(4-Propoxyphenyl)quinoline-4-carboxylic acid
CID 1913233
2-(2,4-Diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136
2-(6-Methoxynaphthalen-2-yl)quinoline-4-carboxylic acid
CID 5003862
2-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 5735793
4-(2-((7-(Quinolin-2-ylmethoxy)naphthalen-2-yl)methoxy)ethyl)benzoic acid
CID 9804436
6-chloro-4-oxo-2-(3-(2-(quinolin-2-yl)vinyl)phenyl)-4H-chromene-8-carboxylic acid
CID 9890153
3-{2-Methyl-4-oxo-7-[3-(quinolin-2-ylmethoxy)-benzyloxy]-chroman-2-yl}-propionic acid
CID 9935613
3-(3-(2-Quinolinylmethyloxy)phenoxymethyl)benzoic acid
CID 9952064
4''-(2-Methyl-quinolin-4-yloxymethyl)-biphenyl-2-carboxylic acid
CID 10453972
4'-[(2-Ethylquinolin-4-yloxy)methyl]biphenyl-2-carboxylic acid
CID 10475047

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid (CID 10765224) is 6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid is Cc1cc(C(=O)O)c2oc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid?
The InChIKey is WDOJBYUAZDERPP-PKNBQFBNSA-N. The full InChI is InChI=1S/C28H19NO4/c1-17-13-22-25(30)16-26(33-27(22)23(14-17)28(31)32)20-7-4-5-18(15-20)9-11-21-12-10-19-6-2-3-8-24(19)29-21/h2-16H,1H3,(H,31,32)/b11-9+.
What are the key properties of 6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid?
6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid has a molecular weight of 433.46 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid is sourced from PubChem (CID 10765224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).