2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline

C12H9F3N2O — CID 140617736

IUPAC2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline
SMILESFC(F)(F)OC1Cc2cnc3ccccc3c2N1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)18-10-5-7-6-16-9-4-2-1-3-8(9)11(7)17-10/h1-4,6,10,17H,5H2
InChIKeyKNIZOJFYSSEDJF-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.07
Rot. Bonds1

About 2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline

2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline (PubChem CID 140617736) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline
PubChem CID140617736
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline
SMILESFC(F)(F)OC1Cc2cnc3ccccc3c2N1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)18-10-5-7-6-16-9-4-2-1-3-8(9)11(7)17-10/h1-4,6,10,17H,5H2
InChIKeyKNIZOJFYSSEDJF-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 103965076
2-methyl-2-phenyl-3,4-dihydro-1H-pyrazino[2,3-c]quinoline
CID 103965038
2-ethyl-1,2,3,4-tetrahydropyrazino[2,3-c]quinoline
CID 103965017
2-(2,3-dihydro-1H-pyrrolo[3,4-c]quinolin-1-yl)propan-2-yl acetate
CID 156634569
4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline
CID 130377887
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
3-nitro-N-[1-(trifluoromethyl)cyclopropyl]quinolin-4-amine
CID 106214705
2,10,13,21-tetrazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 12589043
4-(trifluoromethoxy)quinoline
CID 118835416
7-(trifluoromethyl)phenanthridine
CID 122219612
1H-[1,4]oxazepino[2,3-c]quinolin-2-one
CID 164883283
4-cyclobutyloxyquinolin-3-amine
CID 103963709

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline?
The IUPAC name of 2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline (CID 140617736) is 2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline.
What is the SMILES notation for 2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline?
The canonical SMILES for 2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline is FC(F)(F)OC1Cc2cnc3ccccc3c2N1.
What is the InChIKey of 2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline?
The InChIKey is KNIZOJFYSSEDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)18-10-5-7-6-16-9-4-2-1-3-8(9)11(7)17-10/h1-4,6,10,17H,5H2.
What are the key properties of 2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline?
2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline has a molecular weight of 254.21 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline is sourced from PubChem (CID 140617736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).