2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one

C19H17NO2 — CID 123284768

IUPAC2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one
SMILESCC1=CC(C2C=Cc3oc4ccccc4c(=O)c3C2)=NCC1
InChIInChI=1S/C19H17NO2/c1-12-8-9-20-16(10-12)13-6-7-18-15(11-13)19(21)14-4-2-3-5-17(14)22-18/h2-7,10,13H,8-9,11H2,1H3
InChIKeyZGHXQRWORFEDSS-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.77
Rot. Bonds1

About 2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one

2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one (PubChem CID 123284768) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one
PubChem CID123284768
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one
SMILESCC1=CC(C2C=Cc3oc4ccccc4c(=O)c3C2)=NCC1
InChIInChI=1S/C19H17NO2/c1-12-8-9-20-16(10-12)13-6-7-18-15(11-13)19(21)14-4-2-3-5-17(14)22-18/h2-7,10,13H,8-9,11H2,1H3
InChIKeyZGHXQRWORFEDSS-UHFFFAOYSA-N
XLogP3.77
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one?
The IUPAC name of 2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one (CID 123284768) is 2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one.
What is the SMILES notation for 2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one?
The canonical SMILES for 2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one is CC1=CC(C2C=Cc3oc4ccccc4c(=O)c3C2)=NCC1.
What is the InChIKey of 2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one?
The InChIKey is ZGHXQRWORFEDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-12-8-9-20-16(10-12)13-6-7-18-15(11-13)19(21)14-4-2-3-5-17(14)22-18/h2-7,10,13H,8-9,11H2,1H3.
What are the key properties of 2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one?
2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one has a molecular weight of 291.35 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydropyridin-6-yl)-1,2-dihydroxanthen-9-one is sourced from PubChem (CID 123284768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).