10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one

C27H28N2O4 — CID 56639630

IUPAC10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one
SMILESCOc1cc(Cn2c3ccccc3c(=O)c3cc(N4CCC(O)CC4)ccc32)cc(OC)c1
InChIInChI=1S/C27H28N2O4/c1-32-21-13-18(14-22(16-21)33-2)17-29-25-6-4-3-5-23(25)27(31)24-15-19(7-8-26(24)29)28-11-9-20(30)10-12-28/h3-8,13-16,20,30H,9-12,17H2,1-2H3
InChIKeyAMBNHDCJKLNMPH-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.18
Rot. Bonds5

About 10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one

10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one (PubChem CID 56639630) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is 10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one.

Molecular Properties

Compound Name10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one
PubChem CID56639630
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one
SMILESCOc1cc(Cn2c3ccccc3c(=O)c3cc(N4CCC(O)CC4)ccc32)cc(OC)c1
InChIInChI=1S/C27H28N2O4/c1-32-21-13-18(14-22(16-21)33-2)17-29-25-6-4-3-5-23(25)27(31)24-15-19(7-8-26(24)29)28-11-9-20(30)10-12-28/h3-8,13-16,20,30H,9-12,17H2,1-2H3
InChIKeyAMBNHDCJKLNMPH-UHFFFAOYSA-N
XLogP4.18
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one
CID 56639627
10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one
CID 25141164
10-benzyl-3-methoxyacridin-9-one
CID 12751573
2,6-diamino-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]hexanamide
CID 52940905
5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione
CID 102217512
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
10-[2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]acridin-9-one
CID 55918166
5,12-bis[[3,5-bis[(3,5-ditert-butylphenyl)methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione
CID 102217516
1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one
CID 10473020
10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one
CID 118732412
1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one
CID 10342481
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]ethanone
CID 41133403

Frequently Asked Questions

What is the IUPAC name of 10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one?
The IUPAC name of 10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one (CID 56639630) is 10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one.
What is the SMILES notation for 10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one?
The canonical SMILES for 10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one is COc1cc(Cn2c3ccccc3c(=O)c3cc(N4CCC(O)CC4)ccc32)cc(OC)c1.
What is the InChIKey of 10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one?
The InChIKey is AMBNHDCJKLNMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-32-21-13-18(14-22(16-21)33-2)17-29-25-6-4-3-5-23(25)27(31)24-15-19(7-8-26(24)29)28-11-9-20(30)10-12-28/h3-8,13-16,20,30H,9-12,17H2,1-2H3.
What are the key properties of 10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one?
10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one has a molecular weight of 444.53 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one is sourced from PubChem (CID 56639630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).