2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate

C15H13Cl3N2O2 — CID 146571299

IUPAC2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate
SMILESO=C(Nc1nc2ccccc2c2c1CCC2)OCC(Cl)(Cl)Cl
InChIInChI=1S/C15H13Cl3N2O2/c16-15(17,18)8-22-14(21)20-13-11-6-3-5-9(11)10-4-1-2-7-12(10)19-13/h1-2,4,7H,3,5-6,8H2,(H,19,20,21)
InChIKeyUQAMPVNATBDRMR-UHFFFAOYSA-N
MW359.64 g/mol
LogP4.64
Rot. Bonds2

About 2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate

2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate (PubChem CID 146571299) has the molecular formula C15H13Cl3N2O2 and a molecular weight of 359.64 g/mol. Its IUPAC name is 2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate
PubChem CID146571299
Molecular FormulaC15H13Cl3N2O2
Molecular Weight359.64 g/mol
Exact Mass358.00
IUPAC Name2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate
SMILESO=C(Nc1nc2ccccc2c2c1CCC2)OCC(Cl)(Cl)Cl
InChIInChI=1S/C15H13Cl3N2O2/c16-15(17,18)8-22-14(21)20-13-11-6-3-5-9(11)10-4-1-2-7-12(10)19-13/h1-2,4,7H,3,5-6,8H2,(H,19,20,21)
InChIKeyUQAMPVNATBDRMR-UHFFFAOYSA-N
XLogP4.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.64
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloroethyl N-(2-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)carbamate
CID 146618234
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
ethyl 3-methyl-4-(2,2,2-trichloroethoxycarbonylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate
CID 146571400
[2-(4-chloroanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2463707
[2-oxo-2-(2-phenylanilino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16533544
ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate
CID 141170847
2,2,2-trichloroethyl N-(3-naphthalen-2-yl-3-oxopropyl)carbamate
CID 11773241
1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345703
2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate
CID 86625501
[2-(3,4-difluoroanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2599852
2-[5-[S-amino-N-[1-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-ylamino)ethyl]sulfonimidoyl]-1,3-thiazol-2-yl]propan-2-ol
CID 167336948
2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;2-hydroxybenzoic acid
CID 6611504

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate?
The IUPAC name of 2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate (CID 146571299) is 2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate.
What is the SMILES notation for 2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate?
The canonical SMILES for 2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate is O=C(Nc1nc2ccccc2c2c1CCC2)OCC(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate?
The InChIKey is UQAMPVNATBDRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O2/c16-15(17,18)8-22-14(21)20-13-11-6-3-5-9(11)10-4-1-2-7-12(10)19-13/h1-2,4,7H,3,5-6,8H2,(H,19,20,21).
What are the key properties of 2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate?
2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate has a molecular weight of 359.64 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloroethyl N-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)carbamate is sourced from PubChem (CID 146571299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).