[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone

C23H24N2O2 — CID 17236483

IUPAC[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc2c1NC(c1ccc(O)cc1)C1CC=CC21)N1CCCC1
InChIInChI=1S/C23H24N2O2/c26-16-11-9-15(10-12-16)21-18-6-3-5-17(18)19-7-4-8-20(22(19)24-21)23(27)25-13-1-2-14-25/h3-5,7-12,17-18,21,24,26H,1-2,6,13-14H2
InChIKeyGLMHKCOEHNXGNI-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.45
Rot. Bonds2

About [4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone

[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 17236483) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID17236483
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc2c1NC(c1ccc(O)cc1)C1CC=CC21)N1CCCC1
InChIInChI=1S/C23H24N2O2/c26-16-11-9-15(10-12-16)21-18-6-3-5-17(18)19-7-4-8-20(22(19)24-21)23(27)25-13-1-2-14-25/h3-5,7-12,17-18,21,24,26H,1-2,6,13-14H2
InChIKeyGLMHKCOEHNXGNI-UHFFFAOYSA-N
XLogP4.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone
CID 17239395
azepan-1-yl-[4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]methanone
CID 17238107
azepan-1-yl-[4-(2,4-dihydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]methanone
CID 17236791
azepan-1-yl-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone
CID 17240826
[4-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone
CID 17242226
azepan-1-yl-[4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]methanone
CID 17241757
[(3aS,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone
CID 40806854
4-(4-hydroxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17236525
(4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)-pyrrolidin-1-ylmethanone
CID 17243692
(3aS,4S,9bS)-6-(pyrrolidine-1-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
CID 11914645
morpholin-4-yl-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]methanone
CID 17239095
[4-(2-hydroxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone
CID 17243365

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone (CID 17236483) is [4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone is O=C(c1cccc2c1NC(c1ccc(O)cc1)C1CC=CC21)N1CCCC1.
What is the InChIKey of [4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GLMHKCOEHNXGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-16-11-9-15(10-12-16)21-18-6-3-5-17(18)19-7-4-8-20(22(19)24-21)23(27)25-13-1-2-14-25/h3-5,7-12,17-18,21,24,26H,1-2,6,13-14H2.
What are the key properties of [4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone?
[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 360.46 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 17236483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).