N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C28H23F3N4O4S — CID 172605594

IUPACN-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@H]1OCc2c1c(N)nc1cc(CN(C(=O)c3ccc(C(F)(F)F)nc3)c3cccc4c3S(=O)(=O)CC4)ccc21
InChIInChI=1S/C28H23F3N4O4S/c1-15-24-20(14-39-15)19-7-5-16(11-21(19)34-26(24)32)13-35(22-4-2-3-17-9-10-40(37,38)25(17)22)27(36)18-6-8-23(33-12-18)28(29,30)31/h2-8,11-12,15H,9-10,13-14H2,1H3,(H2,32,34)/t15-/m1/s1
InChIKeyKOXYXSFQOJHUPW-OAHLLOKOSA-N
MW568.58 g/mol
LogP5.00
Rot. Bonds4

About N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 172605594) has the molecular formula C28H23F3N4O4S and a molecular weight of 568.58 g/mol. Its IUPAC name is N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID172605594
Molecular FormulaC28H23F3N4O4S
Molecular Weight568.58 g/mol
Exact Mass568.14
IUPAC NameN-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@H]1OCc2c1c(N)nc1cc(CN(C(=O)c3ccc(C(F)(F)F)nc3)c3cccc4c3S(=O)(=O)CC4)ccc21
InChIInChI=1S/C28H23F3N4O4S/c1-15-24-20(14-39-15)19-7-5-16(11-21(19)34-26(24)32)13-35(22-4-2-3-17-9-10-40(37,38)25(17)22)27(36)18-6-8-23(33-12-18)28(29,30)31/h2-8,11-12,15H,9-10,13-14H2,1H3,(H2,32,34)/t15-/m1/s1
InChIKeyKOXYXSFQOJHUPW-OAHLLOKOSA-N
XLogP5.00
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

(3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 170556796
(3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 169102329
(3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 175745662
(3S)-4-amino-N-[(1R,2S)-2-aminocyclopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382856
(3S)-4-amino-N-[(2R,3R)-3-hydroxybutan-2-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382633
4-amino-N-tert-butyl-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 163382719
N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4,4-difluoro-1,1-dioxo-2,3-dihydrothiochromen-8-yl)pyridine-3-carboxamide
CID 171501289
4-amino-N-(3-hydroxy-2-methylpropyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383458
(3S)-4-amino-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383200
(3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382679
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
CID 164798367
(3R)-4-amino-3-methyl-N-(oxan-4-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383364

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 172605594) is N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is C[C@H]1OCc2c1c(N)nc1cc(CN(C(=O)c3ccc(C(F)(F)F)nc3)c3cccc4c3S(=O)(=O)CC4)ccc21.
What is the InChIKey of N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KOXYXSFQOJHUPW-OAHLLOKOSA-N. The full InChI is InChI=1S/C28H23F3N4O4S/c1-15-24-20(14-39-15)19-7-5-16(11-21(19)34-26(24)32)13-35(22-4-2-3-17-9-10-40(37,38)25(17)22)27(36)18-6-8-23(33-12-18)28(29,30)31/h2-8,11-12,15H,9-10,13-14H2,1H3,(H2,32,34)/t15-/m1/s1.
What are the key properties of N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 568.58 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172605594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).