(3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione

C18H18N2O3 — CID 58015337

IUPAC(3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
SMILESO=C1c2c(OCc3ccccc3)c(=O)ccn2C[C@H]2CCCN12
InChIInChI=1S/C18H18N2O3/c21-15-8-10-19-11-14-7-4-9-20(14)18(22)16(19)17(15)23-12-13-5-2-1-3-6-13/h1-3,5-6,8,10,14H,4,7,9,11-12H2/t14-/m1/s1
InChIKeyMUQPTBNPTWHSGW-CQSZACIVSA-N
MW310.35 g/mol
LogP2.05
Rot. Bonds3

About (3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione

(3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione (PubChem CID 58015337) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione.

Molecular Properties

Compound Name(3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
PubChem CID58015337
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
SMILESO=C1c2c(OCc3ccccc3)c(=O)ccn2C[C@H]2CCCN12
InChIInChI=1S/C18H18N2O3/c21-15-8-10-19-11-14-7-4-9-20(14)18(22)16(19)17(15)23-12-13-5-2-1-3-6-13/h1-3,5-6,8,10,14H,4,7,9,11-12H2/t14-/m1/s1
InChIKeyMUQPTBNPTWHSGW-CQSZACIVSA-N
XLogP2.05
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione 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

2-(4-benzylpiperazine-1-carbonyl)-5-((4-fluorobenzyl)oxy)-1-methylpyridin-4(1H)-one
CID 30858948
N-(2-(7-(benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 27378090
N-(2-(7-(benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-2-ethylbutanamide
CID 27378094
N-(2-(7-(benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)cinnamamide
CID 27378100
5-(benzyloxy)-N-cyclopentyl-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 42440790
5-(benzyloxy)-N-cyclohexyl-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 42442441
(4R,12aS)-7-(benzyloxy)-4-methyl-3,4-dihydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-6,8(12H,12aH)-dione
CID 58373219
5-[(2-Fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one
CID 16852721
5-((4-Fluorobenzyl)oxy)-2-methyl-1-(2-(4-methylpip
CID 16852802
Ethyl 4-(5-((4-fluorobenzyl)oxy)-1-methyl-4-oxo-1,4-dihydropyridine-2-carbonyl)piperazine-1-carboxylate
CID 42441288
1-{[5-(Benzyloxy)-4-hydroxypyridin-2-yl]carbonyl}piperidine-4-carboxamide
CID 42442176
5-(benzyloxy)-2-(pyrrolidine-1-carbonyl)pyridin-4(1H)-one
CID 52901061

Frequently Asked Questions

What is the IUPAC name of (3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
The IUPAC name of (3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione (CID 58015337) is (3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione.
What is the SMILES notation for (3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
The canonical SMILES for (3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione is O=C1c2c(OCc3ccccc3)c(=O)ccn2C[C@H]2CCCN12.
What is the InChIKey of (3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
The InChIKey is MUQPTBNPTWHSGW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-15-8-10-19-11-14-7-4-9-20(14)18(22)16(19)17(15)23-12-13-5-2-1-3-6-13/h1-3,5-6,8,10,14H,4,7,9,11-12H2/t14-/m1/s1.
What are the key properties of (3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
(3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione has a molecular weight of 310.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione is sourced from PubChem (CID 58015337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).