(4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

C24H25NO2 — CID 2518632

IUPAC(4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESCc1cc(C(C)(C)C)ccc1OC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C24H25NO2/c1-15-14-16(24(2,3)4)12-13-21(15)27-23(26)22-17-8-5-6-10-19(17)25-20-11-7-9-18(20)22/h5-6,8,10,12-14H,7,9,11H2,1-4H3
InChIKeyMTYXVZZIMYXLEF-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.55
Rot. Bonds2

About (4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

(4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (PubChem CID 2518632) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name(4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
PubChem CID2518632
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESCc1cc(C(C)(C)C)ccc1OC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C24H25NO2/c1-15-14-16(24(2,3)4)12-13-21(15)27-23(26)22-17-8-5-6-10-19(17)25-20-11-7-9-18(20)22/h5-6,8,10,12-14H,7,9,11H2,1-4H3
InChIKeyMTYXVZZIMYXLEF-UHFFFAOYSA-N
XLogP5.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate 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

(4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 75401713
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
(3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239885
(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16578464
(5-methyl-1,2-oxazol-3-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 8943905
[(1R)-1-cyanoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7440202
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585220
[2-(4-ethylphenyl)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3394606
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887
(2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239890
N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 9247855
(2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3957619

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of (4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (CID 2518632) is (4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for (4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for (4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is Cc1cc(C(C)(C)C)ccc1OC(=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of (4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The InChIKey is MTYXVZZIMYXLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-15-14-16(24(2,3)4)12-13-21(15)27-23(26)22-17-8-5-6-10-19(17)25-20-11-7-9-18(20)22/h5-6,8,10,12-14H,7,9,11H2,1-4H3.
What are the key properties of (4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
(4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 2518632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).