(3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C23H21F4N3O2 — CID 174220739

IUPAC(3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCC(c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc2c3c(c(N)nc2cc1F)[C@@H](C)OC3
InChIInChI=1S/C23H21F4N3O2/c1-11(13-4-6-14(7-5-13)23(25,26)27)30(3)22(31)16-8-15-17-10-32-12(2)20(17)21(28)29-19(15)9-18(16)24/h4-9,11-12H,10H2,1-3H3,(H2,28,29)/t11?,12-/m1/s1
InChIKeyZFOXTXQEGBLSTG-PIJUOVFKSA-N
MW447.43 g/mol
LogP5.40
Rot. Bonds3

About (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

(3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 174220739) has the molecular formula C23H21F4N3O2 and a molecular weight of 447.43 g/mol. Its IUPAC name is (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name(3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID174220739
Molecular FormulaC23H21F4N3O2
Molecular Weight447.43 g/mol
Exact Mass447.16
IUPAC Name(3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCC(c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc2c3c(c(N)nc2cc1F)[C@@H](C)OC3
InChIInChI=1S/C23H21F4N3O2/c1-11(13-4-6-14(7-5-13)23(25,26)27)30(3)22(31)16-8-15-17-10-32-12(2)20(17)21(28)29-19(15)9-18(16)24/h4-9,11-12H,10H2,1-3H3,(H2,28,29)/t11?,12-/m1/s1
InChIKeyZFOXTXQEGBLSTG-PIJUOVFKSA-N
XLogP5.40
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.43
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-amino-N-cyclobutyl-7-fluoro-3-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 170429800
(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-[(6-cyclopropyl-3-pyridinyl)methyl]-7-fluoro-3-methyl-N-propan-2-yl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 171400940
(3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382626
4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 169102330
(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-(3-hydroxy-2-methylpropyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383458
(3R)-4-amino-N-(1,3-benzothiazol-6-ylmethyl)-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 171616304
(3S)-1-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-hydroxymethyl]-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 167121922
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
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 174220739) is (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CC(c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc2c3c(c(N)nc2cc1F)[C@@H](C)OC3.
What is the InChIKey of (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is ZFOXTXQEGBLSTG-PIJUOVFKSA-N. The full InChI is InChI=1S/C23H21F4N3O2/c1-11(13-4-6-14(7-5-13)23(25,26)27)30(3)22(31)16-8-15-17-10-32-12(2)20(17)21(28)29-19(15)9-18(16)24/h4-9,11-12H,10H2,1-3H3,(H2,28,29)/t11?,12-/m1/s1.
What are the key properties of (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
(3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 447.43 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 174220739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).