4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile

C27H18N2O4 — CID 14842366

IUPAC4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile
SMILESN#Cc1cc(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2o1
InChIInChI=1S/C27H18N2O4/c28-15-23-13-26(30)24-11-10-22(14-27(24)33-23)31-16-18-4-3-6-21(12-18)32-17-20-9-8-19-5-1-2-7-25(19)29-20/h1-14H,16-17H2
InChIKeyLKOBICUNCXZYQF-UHFFFAOYSA-N
MW434.45 g/mol
LogP5.37
Rot. Bonds6

About 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile

4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile (PubChem CID 14842366) has the molecular formula C27H18N2O4 and a molecular weight of 434.45 g/mol. Its IUPAC name is 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile.

Molecular Properties

Compound Name4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile
PubChem CID14842366
Molecular FormulaC27H18N2O4
Molecular Weight434.45 g/mol
Exact Mass434.13
IUPAC Name4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile
SMILESN#Cc1cc(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2o1
InChIInChI=1S/C27H18N2O4/c28-15-23-13-26(30)24-11-10-22(14-27(24)33-23)31-16-18-4-3-6-21(12-18)32-17-20-9-8-19-5-1-2-7-25(19)29-20/h1-14H,16-17H2
InChIKeyLKOBICUNCXZYQF-UHFFFAOYSA-N
XLogP5.37
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-oxo-7-[(E)-2-[3-(quinolin-2-ylmethoxy)phenyl]ethenyl]chromene-2-carbonitrile
CID 14842363
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
2-[[4-[[3-(2H-tetrazol-1-ium-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 163467105
4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile
CID 14774171
4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
CID 10574284
4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid
CID 14842373
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 22616056
N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide
CID 142023909

Frequently Asked Questions

What is the IUPAC name of 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile?
The IUPAC name of 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile (CID 14842366) is 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile.
What is the SMILES notation for 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile?
The canonical SMILES for 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile is N#Cc1cc(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2o1.
What is the InChIKey of 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile?
The InChIKey is LKOBICUNCXZYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O4/c28-15-23-13-26(30)24-11-10-22(14-27(24)33-23)31-16-18-4-3-6-21(12-18)32-17-20-9-8-19-5-1-2-7-25(19)29-20/h1-14H,16-17H2.
What are the key properties of 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile?
4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile has a molecular weight of 434.45 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile is sourced from PubChem (CID 14842366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).