3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one

C25H25NO4 — CID 90356879

IUPAC3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one
SMILESCOc1cccc(CN(C)CCCOc2ccc3c(c2)oc(=O)c2ccccc23)c1
InChIInChI=1S/C25H25NO4/c1-26(17-18-7-5-8-19(15-18)28-2)13-6-14-29-20-11-12-22-21-9-3-4-10-23(21)25(27)30-24(22)16-20/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3
InChIKeyAODGUHXAKIDWEC-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.86
Rot. Bonds8

About 3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one

3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one (PubChem CID 90356879) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one.

Molecular Properties

Compound Name3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one
PubChem CID90356879
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one
SMILESCOc1cccc(CN(C)CCCOc2ccc3c(c2)oc(=O)c2ccccc23)c1
InChIInChI=1S/C25H25NO4/c1-26(17-18-7-5-8-19(15-18)28-2)13-6-14-29-20-11-12-22-21-9-3-4-10-23(21)25(27)30-24(22)16-20/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3
InChIKeyAODGUHXAKIDWEC-UHFFFAOYSA-N
XLogP4.86
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mepixanox
CID 65687
AP-2238
CID 9844749
3-{[methyl({3-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy]propyl})amino]methyl}phenyl N-methylcarbamate hydrochloride
CID 10553699
Xanthostigmine
CID 10765787
3-{[ethyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})amino]methyl}phenyl N-methylcarbamate
CID 10647656
3-{[methyl({5-[(9-oxo-9H-xanthen-3-yl)oxy]pentyl})amino]methyl}phenyl N-methylcarbamate
CID 10672184
3-[({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl}(propan-2-yl)amino)methyl]phenyl N-methylcarbamate
CID 10695859
3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})amino]methyl}phenyl N-methylcarbamate
CID 10896395
3-{[methyl({5-[(9-oxo-9H-xanthen-3-yl)oxy]pentyl})amino]methyl}phenyl N-heptylcarbamate hydrochloride
CID 10507720
3-{[methyl({4-[(9-oxo-9H-xanthen-3-yl)oxy]butyl})amino]methyl}phenyl N-methylcarbamate hydrochloride
CID 10529304
3-{[methyl({4-[(9-oxo-9H-xanthen-3-yl)oxy]butyl})amino]methyl}phenyl N-heptylcarbamate hydrochloride
CID 10840993
3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})amino]methyl}phenyl N-[9-(morpholin-4-yl)nonyl]carbamate
CID 9961034

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one?
The IUPAC name of 3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one (CID 90356879) is 3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one.
What is the SMILES notation for 3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one?
The canonical SMILES for 3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one is COc1cccc(CN(C)CCCOc2ccc3c(c2)oc(=O)c2ccccc23)c1.
What is the InChIKey of 3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one?
The InChIKey is AODGUHXAKIDWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-26(17-18-7-5-8-19(15-18)28-2)13-6-14-29-20-11-12-22-21-9-3-4-10-23(21)25(27)30-24(22)16-20/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3.
What are the key properties of 3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one?
3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one has a molecular weight of 403.48 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzo[c]chromen-6-one is sourced from PubChem (CID 90356879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).