(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone

C23H20F4N4O3 — CID 164798578

IUPAC(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
SMILESC[C@H]1COC[C@@H](c2ccc(C(F)(F)F)nc2)N1C(=O)c1cc2c3c(c(N)nc2cc1F)COC3
InChIInChI=1S/C23H20F4N4O3/c1-11-7-33-10-19(12-2-3-20(29-6-12)23(25,26)27)31(11)22(32)14-4-13-15-8-34-9-16(15)21(28)30-18(13)5-17(14)24/h2-6,11,19H,7-10H2,1H3,(H2,28,30)/t11-,19-/m0/s1
InChIKeyVBLUCJHTSSGMGB-WLRWDXFRSA-N
MW476.43 g/mol
LogP4.00
Rot. Bonds2

About (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone

(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone (PubChem CID 164798578) has the molecular formula C23H20F4N4O3 and a molecular weight of 476.43 g/mol. Its IUPAC name is (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
PubChem CID164798578
Molecular FormulaC23H20F4N4O3
Molecular Weight476.43 g/mol
Exact Mass476.15
IUPAC Name(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
SMILESC[C@H]1COC[C@@H](c2ccc(C(F)(F)F)nc2)N1C(=O)c1cc2c3c(c(N)nc2cc1F)COC3
InChIInChI=1S/C23H20F4N4O3/c1-11-7-33-10-19(12-2-3-20(29-6-12)23(25,26)27)31(11)22(32)14-4-13-15-8-34-9-16(15)21(28)30-18(13)5-17(14)24/h2-6,11,19H,7-10H2,1H3,(H2,28,30)/t11-,19-/m0/s1
InChIKeyVBLUCJHTSSGMGB-WLRWDXFRSA-N
XLogP4.00
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
CID 164798544
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
CID 164798416
[(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
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone
CID 164798672
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4R)-3,3-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 164798821
4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid
CID 163383514
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 164992014
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 164798664
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 167121916
4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 167085267
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-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383375

Frequently Asked Questions

What is the IUPAC name of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone (CID 164798578) is (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone is C[C@H]1COC[C@@H](c2ccc(C(F)(F)F)nc2)N1C(=O)c1cc2c3c(c(N)nc2cc1F)COC3.
What is the InChIKey of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is VBLUCJHTSSGMGB-WLRWDXFRSA-N. The full InChI is InChI=1S/C23H20F4N4O3/c1-11-7-33-10-19(12-2-3-20(29-6-12)23(25,26)27)31(11)22(32)14-4-13-15-8-34-9-16(15)21(28)30-18(13)5-17(14)24/h2-6,11,19H,7-10H2,1H3,(H2,28,30)/t11-,19-/m0/s1.
What are the key properties of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone?
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 476.43 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).