[2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate

C22H23NO3 — CID 17239826

IUPAC[2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate
SMILESCOc1cc(C2Nc3ccc(C)cc3C3C=CCC32)ccc1OC(C)=O
InChIInChI=1S/C22H23NO3/c1-13-7-9-19-18(11-13)16-5-4-6-17(16)22(23-19)15-8-10-20(26-14(2)24)21(12-15)25-3/h4-5,7-12,16-17,22-23H,6H2,1-3H3
InChIKeyURHIOFJVNFEGAQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.76
Rot. Bonds3

About [2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate

[2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate (PubChem CID 17239826) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is [2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate
PubChem CID17239826
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name[2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate
SMILESCOc1cc(C2Nc3ccc(C)cc3C3C=CCC32)ccc1OC(C)=O
InChIInChI=1S/C22H23NO3/c1-13-7-9-19-18(11-13)16-5-4-6-17(16)22(23-19)15-8-10-20(26-14(2)24)21(12-15)25-3/h4-5,7-12,16-17,22-23H,6H2,1-3H3
InChIKeyURHIOFJVNFEGAQ-UHFFFAOYSA-N
XLogP4.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate 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-methoxy-4-[8-(2-methylpropanoylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]phenyl] acetate
CID 17239925
[2-methoxy-4-[8-[methyl(phenyl)carbamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]phenyl] acetate
CID 17239943
[2-methoxy-4-[8-(3-methoxypropylcarbamoyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]phenyl] acetate
CID 17239937
4-(3,4-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 2771381
[4-[(3aR,4R,9bR)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-3-acetyloxyphenyl] acetate
CID 7447757
(3aS,4R,9bR)-4-(3,4-dimethoxyphenyl)-8-iodo-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 124678052
[2-methoxy-4-(6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate
CID 17239817
[4-(6-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenyl] acetate
CID 17239852
4-(3,4-dimethoxyphenyl)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17241873
1-[4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
CID 4028840
1-[(3aS,4S,9bR)-4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
CID 6988567
methyl 4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
CID 17238073

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate?
The IUPAC name of [2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate (CID 17239826) is [2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate.
What is the SMILES notation for [2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate?
The canonical SMILES for [2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate is COc1cc(C2Nc3ccc(C)cc3C3C=CCC32)ccc1OC(C)=O.
What is the InChIKey of [2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate?
The InChIKey is URHIOFJVNFEGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-13-7-9-19-18(11-13)16-5-4-6-17(16)22(23-19)15-8-10-20(26-14(2)24)21(12-15)25-3/h4-5,7-12,16-17,22-23H,6H2,1-3H3.
What are the key properties of [2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate?
[2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate has a molecular weight of 349.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl] acetate is sourced from PubChem (CID 17239826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).