4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C22H20F4N4O2 — CID 169102330

IUPAC4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCC(C)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cc2c3c(c(N)nc2cc1F)COC3
InChIInChI=1S/C22H20F4N4O2/c1-11(2)30(8-13-4-3-12(7-28-13)22(24,25)26)21(31)15-5-14-16-9-32-10-17(16)20(27)29-19(14)6-18(15)23/h3-7,11H,8-10H2,1-2H3,(H2,27,29)
InChIKeyUBMBXXRZBOPPMK-UHFFFAOYSA-N
MW448.42 g/mol
LogP4.45
Rot. Bonds4

About 4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 169102330) has the molecular formula C22H20F4N4O2 and a molecular weight of 448.42 g/mol. Its IUPAC name is 4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID169102330
Molecular FormulaC22H20F4N4O2
Molecular Weight448.42 g/mol
Exact Mass448.15
IUPAC Name4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCC(C)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cc2c3c(c(N)nc2cc1F)COC3
InChIInChI=1S/C22H20F4N4O2/c1-11(2)30(8-13-4-3-12(7-28-13)22(24,25)26)21(31)15-5-14-16-9-32-10-17(16)20(27)29-19(14)6-18(15)23/h3-7,11H,8-10H2,1-2H3,(H2,27,29)
InChIKeyUBMBXXRZBOPPMK-UHFFFAOYSA-N
XLogP4.45
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Anvumetostat
CID 164536956
4-amino-N-[(6-chloro-5-cyano-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382744
4-amino-7-chloro-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382939
4-amino-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383291
N-[6-[2-(methylamino)propanoylamino]-4-(6-methylquinolin-5-yl)-2-pyridinyl]-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide
CID 117914854
ethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate
CID 56931580
4-amino-N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382995
4-amino-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 163383149
4-amino-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383367
4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383641
[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164536921
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164536939

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 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) is 4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CC(C)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cc2c3c(c(N)nc2cc1F)COC3.
What is the InChIKey of 4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is UBMBXXRZBOPPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O2/c1-11(2)30(8-13-4-3-12(7-28-13)22(24,25)26)21(31)15-5-14-16-9-32-10-17(16)20(27)29-19(14)6-18(15)23/h3-7,11H,8-10H2,1-2H3,(H2,27,29).
What are the key properties of 4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 448.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 169102330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).