3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile

C23H18N2O4 — CID 168740771

IUPAC3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile
SMILESCc1c(Oc2cc(Cc3ccc(C#N)cc3O)ccn2)ccc2c1OCCC2=O
InChIInChI=1S/C23H18N2O4/c1-14-21(5-4-18-19(26)7-9-28-23(14)18)29-22-12-15(6-8-25-22)10-17-3-2-16(13-24)11-20(17)27/h2-6,8,11-12,27H,7,9-10H2,1H3
InChIKeyKZAXLPDKZJNYFS-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.32
Rot. Bonds4

About 3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile

3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile (PubChem CID 168740771) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile.

Molecular Properties

Compound Name3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile
PubChem CID168740771
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile
SMILESCc1c(Oc2cc(Cc3ccc(C#N)cc3O)ccn2)ccc2c1OCCC2=O
InChIInChI=1S/C23H18N2O4/c1-14-21(5-4-18-19(26)7-9-28-23(14)18)29-22-12-15(6-8-25-22)10-17-3-2-16(13-24)11-20(17)27/h2-6,8,11-12,27H,7,9-10H2,1H3
InChIKeyKZAXLPDKZJNYFS-UHFFFAOYSA-N
XLogP4.32
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile with MolForge

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Related Compounds

4-[[2-[(4-oxo-6-propan-2-yl-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile
CID 156871188
4-[[2-[(4-oxo-8-phenyl-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide
CID 156870878
7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one
CID 156871495
2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile
CID 24690877
ethane;ethyl 2-(4-cyano-2-hydroxyphenyl)acetate
CID 156725106
2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
CID 107664811
4-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-(1-oxidopyridin-1-ium-2-yl)methyl]benzonitrile
CID 156870927
4-[(R)-(4-oxo-8-propan-2-yl-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 175856887
4-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 156871187
2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395798
6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one
CID 156871065
7-amino-8-methyl-2,3-dihydrochromen-4-one
CID 55297743

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile?
The IUPAC name of 3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile (CID 168740771) is 3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile.
What is the SMILES notation for 3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile?
The canonical SMILES for 3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile is Cc1c(Oc2cc(Cc3ccc(C#N)cc3O)ccn2)ccc2c1OCCC2=O.
What is the InChIKey of 3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile?
The InChIKey is KZAXLPDKZJNYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-14-21(5-4-18-19(26)7-9-28-23(14)18)29-22-12-15(6-8-25-22)10-17-3-2-16(13-24)11-20(17)27/h2-6,8,11-12,27H,7,9-10H2,1H3.
What are the key properties of 3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile?
3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile has a molecular weight of 386.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile is sourced from PubChem (CID 168740771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).