4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide

C21H17F3N4O3 — CID 164866870

IUPAC4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide
SMILESCN(C(=O)c1cnc2nc(N)c3c(c2c1)COC3)C1COc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C21H17F3N4O3/c1-28(16-9-31-17-5-11(21(22,23)24)2-3-12(16)17)20(29)10-4-13-14-7-30-8-15(14)18(25)27-19(13)26-6-10/h2-6,16H,7-9H2,1H3,(H2,25,26,27)
InChIKeyHDSCQLXEZATGBU-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.47
Rot. Bonds2

About 4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide

4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide (PubChem CID 164866870) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide
PubChem CID164866870
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Name4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide
SMILESCN(C(=O)c1cnc2nc(N)c3c(c2c1)COC3)C1COc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C21H17F3N4O3/c1-28(16-9-31-17-5-11(21(22,23)24)2-3-12(16)17)20(29)10-4-13-14-7-30-8-15(14)18(25)27-19(13)26-6-10/h2-6,16H,7-9H2,1H3,(H2,25,26,27)
InChIKeyHDSCQLXEZATGBU-UHFFFAOYSA-N
XLogP3.47
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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,3-dimethyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
CID 170429721
4-amino-N-cyclopropyl-7-fluoro-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867438
4-amino-N-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 164867031
4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164866988
4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide
CID 163382760
4-amino-N-[(3S)-4-fluoro-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 164867521
4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid
CID 163383500
4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867366
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-N-[(3S)-6-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-3-yl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 164866972

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide (CID 164866870) is 4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide is CN(C(=O)c1cnc2nc(N)c3c(c2c1)COC3)C1COc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide?
The InChIKey is HDSCQLXEZATGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c1-28(16-9-31-17-5-11(21(22,23)24)2-3-12(16)17)20(29)10-4-13-14-7-30-8-15(14)18(25)27-19(13)26-6-10/h2-6,16H,7-9H2,1H3,(H2,25,26,27).
What are the key properties of 4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide?
4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide is sourced from PubChem (CID 164866870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).