[6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C25H22N2O5 — CID 58506560

IUPAC[6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc3c(-c4ccncc4)c(CO)ccc3n2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O5/c1-30-21-12-17(13-22(31-2)25(21)32-3)24(29)20-7-5-18-19(27-20)6-4-16(14-28)23(18)15-8-10-26-11-9-15/h4-13,28H,14H2,1-3H3
InChIKeyWURYKVQPNWIPHJ-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.05
Rot. Bonds7

About [6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 58506560) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is [6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID58506560
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name[6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc3c(-c4ccncc4)c(CO)ccc3n2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O5/c1-30-21-12-17(13-22(31-2)25(21)32-3)24(29)20-7-5-18-19(27-20)6-4-16(14-28)23(18)15-8-10-26-11-9-15/h4-13,28H,14H2,1-3H3
InChIKeyWURYKVQPNWIPHJ-UHFFFAOYSA-N
XLogP4.05
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

Oxoglaucine
CID 97662
1,2,3,9,10-Pentamethoxy-7H-dibenzo(de,g)quinolin-7-one
CID 284998
Papaveraldine
CID 96932
Lysicamine
CID 122691
6-(3',4',5'-Trimethoxybenzoyl)quinoline
CID 45139642
Oxocalycinine
CID 135540944
9-Hydroxy-1,2,10-trimethoxy-7H-dibenzo(de,g)quinolin-7-one
CID 21222
8-(4-hydroxy-3,5-dimethoxyphenyl)-8,10,11,12-tetrahydrobenzo[a]-4,7-phenanthrolin-9(7H)-one
CID 2946740
Quinolin-2-yl-(3,4,5-trimethoxyphenyl)methanone
CID 21815820
Quinolin-3-yl-(3,4,5-trimethoxyphenyl)methanone
CID 45139639
Quinolin-4-yl-(3,4,5-trimethoxyphenyl)methanone
CID 45139640
(6-Methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 45139822

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 58506560) is [6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc3c(-c4ccncc4)c(CO)ccc3n2)cc(OC)c1OC.
What is the InChIKey of [6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is WURYKVQPNWIPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-30-21-12-17(13-22(31-2)25(21)32-3)24(29)20-7-5-18-19(27-20)6-4-16(14-28)23(18)15-8-10-26-11-9-15/h4-13,28H,14H2,1-3H3.
What are the key properties of [6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 430.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-5-pyridin-4-ylquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 58506560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).