3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane

C16H17F3N2O — CID 144781134

IUPAC3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane
SMILESCC.Cc1c[nH]c2c1c(C)nc1ccc(OC(F)(F)F)cc12
InChIInChI=1S/C14H11F3N2O.C2H6/c1-7-6-18-13-10-5-9(20-14(15,16)17)3-4-11(10)19-8(2)12(7)13;1-2/h3-6,18H,1-2H3;1-2H3
InChIKeyWVVOQGRWZFBDPE-UHFFFAOYSA-N
MW310.32 g/mol
LogP5.26
Rot. Bonds1

About 3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane

3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane (PubChem CID 144781134) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane.

Molecular Properties

Compound Name3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane
PubChem CID144781134
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane
SMILESCC.Cc1c[nH]c2c1c(C)nc1ccc(OC(F)(F)F)cc12
InChIInChI=1S/C14H11F3N2O.C2H6/c1-7-6-18-13-10-5-9(20-14(15,16)17)3-4-11(10)19-8(2)12(7)13;1-2/h3-6,18H,1-2H3;1-2H3
InChIKeyWVVOQGRWZFBDPE-UHFFFAOYSA-N
XLogP5.26
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.32
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one
CID 71146329
ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one
CID 144970353
2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4223701
1-methyl-7-(trifluoromethoxy)naphthalene
CID 118830496
2-(2,2-dimethylpropyl)-6-(trifluoromethoxy)-3H-quinazolin-4-one
CID 137232996
9-(trifluoromethoxy)-1H-indolo[2,3-b][1,5]naphthyridine
CID 136960287
ethyl 2-methyl-4-phenyl-6-(trifluoromethoxy)quinoline-3-carboxylate
CID 2135923
2-(3-methylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4272780
N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide
CID 82574511
2-methyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine
CID 162575936
1-methyl-6-(trifluoromethoxy)isoquinoline
CID 91053898
N-methyl-7-(trifluoromethoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62203095

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane?
The IUPAC name of 3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane (CID 144781134) is 3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane.
What is the SMILES notation for 3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane?
The canonical SMILES for 3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane is CC.Cc1c[nH]c2c1c(C)nc1ccc(OC(F)(F)F)cc12.
What is the InChIKey of 3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane?
The InChIKey is WVVOQGRWZFBDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O.C2H6/c1-7-6-18-13-10-5-9(20-14(15,16)17)3-4-11(10)19-8(2)12(7)13;1-2/h3-6,18H,1-2H3;1-2H3.
What are the key properties of 3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane?
3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane has a molecular weight of 310.32 g/mol, XLogP of 5.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-8-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline;ethane is sourced from PubChem (CID 144781134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).