4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C23H20F3N3O3 — CID 164867206

IUPAC4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1ccc2nc(N)c3c(c2c1)COC3)[C@H]1CCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C23H20F3N3O3/c1-29(20-7-3-12-8-14(4-5-15(12)20)32-23(24,25)26)22(30)13-2-6-19-16(9-13)17-10-31-11-18(17)21(27)28-19/h2,4-6,8-9,20H,3,7,10-11H2,1H3,(H2,27,28)/t20-/m0/s1
InChIKeyQTNOYJYGHIFNHC-FQEVSTJZSA-N
MW443.43 g/mol
LogP4.51
Rot. Bonds3

About 4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 164867206) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID164867206
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1ccc2nc(N)c3c(c2c1)COC3)[C@H]1CCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C23H20F3N3O3/c1-29(20-7-3-12-8-14(4-5-15(12)20)32-23(24,25)26)22(30)13-2-6-19-16(9-13)17-10-31-11-18(17)21(27)28-19/h2,4-6,8-9,20H,3,7,10-11H2,1H3,(H2,27,28)/t20-/m0/s1
InChIKeyQTNOYJYGHIFNHC-FQEVSTJZSA-N
XLogP4.51
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867085
4-amino-N-[(3S)-6-(N,S-dimethylsulfonimidoyl)-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164866886
4-amino-7-fluoro-N,1-dimethyl-N-[(4R)-7-(trifluoromethoxy)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164866892
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798430
4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 170556793
5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide
CID 164867569
4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 164867555
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
CID 144743792
4-amino-7-chloro-N-methyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867503
4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867164
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone
CID 176751312
4-amino-N-(2,2-dimethylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383203

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 164867206) is 4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CN(C(=O)c1ccc2nc(N)c3c(c2c1)COC3)[C@H]1CCc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is QTNOYJYGHIFNHC-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-29(20-7-3-12-8-14(4-5-15(12)20)32-23(24,25)26)22(30)13-2-6-19-16(9-13)17-10-31-11-18(17)21(27)28-19/h2,4-6,8-9,20H,3,7,10-11H2,1H3,(H2,27,28)/t20-/m0/s1.
What are the key properties of 4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 164867206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).