N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide

C17H17F3N2O2 — CID 16738634

IUPACN-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
SMILESO=C(NC1CC1)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)24-10-6-7-14-13(8-10)11-2-1-3-12(11)15(22-14)16(23)21-9-4-5-9/h1-2,6-9,11-12,15,22H,3-5H2,(H,21,23)
InChIKeyUFNAFOTWOKHFSY-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.32
Rot. Bonds3

About N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide

N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide (PubChem CID 16738634) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
PubChem CID16738634
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
SMILESO=C(NC1CC1)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)24-10-6-7-14-13(8-10)11-2-1-3-12(11)15(22-14)16(23)21-9-4-5-9/h1-2,6-9,11-12,15,22H,3-5H2,(H,21,23)
InChIKeyUFNAFOTWOKHFSY-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-(Trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 620366
3a,4,5,9b-Tetrahydro-8-methoxy-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 3122746
methyl 2-[[8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carbonyl]amino]acetate
CID 16738633
N-(2-phenoxyethyl)-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
CID 16738636
N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
CID 122188233
ethyl 8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
CID 9973697
N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-phenylacetamide
CID 4793414
6-Benzyloxy-2,3,4,4a,9,9a-hexahydro-beta-carbolin-1-one
CID 12988076
N-isobutyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
CID 16738632
N-(2-methoxyethyl)-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
CID 16738635
N-(phenylmethyl)-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
CID 16738638
N-(2-fluoranylethyl)-8-(trifluoromethyloxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
CID 16738640

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide (CID 16738634) is N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide is O=C(NC1CC1)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12.
What is the InChIKey of N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide?
The InChIKey is UFNAFOTWOKHFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c18-17(19,20)24-10-6-7-14-13(8-10)11-2-1-3-12(11)15(22-14)16(23)21-9-4-5-9/h1-2,6-9,11-12,15,22H,3-5H2,(H,21,23).
What are the key properties of N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide?
N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide is sourced from PubChem (CID 16738634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).