4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C22H18F3N3O4 — CID 170556793

IUPAC4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1cc2c3c(c(N)nc2cc1F)COC3)[C@@H]1COc2cc(OC(F)F)ccc21
InChIInChI=1S/C22H18F3N3O4/c1-28(18-9-31-19-4-10(32-22(24)25)2-3-11(18)19)21(29)13-5-12-14-7-30-8-15(14)20(26)27-17(12)6-16(13)23/h2-6,18,22H,7-9H2,1H3,(H2,26,27)/t18-/m1/s1
InChIKeyIQULBRJBMXTEMU-GOSISDBHSA-N
MW445.40 g/mol
LogP3.79
Rot. Bonds4

About 4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 170556793) has the molecular formula C22H18F3N3O4 and a molecular weight of 445.40 g/mol. Its IUPAC name is 4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID170556793
Molecular FormulaC22H18F3N3O4
Molecular Weight445.40 g/mol
Exact Mass445.12
IUPAC Name4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1cc2c3c(c(N)nc2cc1F)COC3)[C@@H]1COc2cc(OC(F)F)ccc21
InChIInChI=1S/C22H18F3N3O4/c1-28(18-9-31-19-4-10(32-22(24)25)2-3-11(18)19)21(29)13-5-12-14-7-30-8-15(14)20(26)27-17(12)6-16(13)23/h2-6,18,22H,7-9H2,1H3,(H2,26,27)/t18-/m1/s1
InChIKeyIQULBRJBMXTEMU-GOSISDBHSA-N
XLogP3.79
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

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Related Compounds

4-amino-N-[(3S)-6-bromo-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164866910
4-amino-7-fluoro-N-methyl-N-[(3R)-6-methylsulfonyl-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867071
4-amino-N-[(3R)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 170556804
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-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-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid
CID 163383514
4-amino-7-chloro-N-[(3S)-6-[2-(3-chloro-1-methylpyrazol-4-yl)ethynyl]-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 176689391
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-[(4S)-8-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867355
4-amino-7-chloro-N-[(3R)-4-fluoro-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 170556768
4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867568
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 170556793) is 4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CN(C(=O)c1cc2c3c(c(N)nc2cc1F)COC3)[C@@H]1COc2cc(OC(F)F)ccc21.
What is the InChIKey of 4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is IQULBRJBMXTEMU-GOSISDBHSA-N. The full InChI is InChI=1S/C22H18F3N3O4/c1-28(18-9-31-19-4-10(32-22(24)25)2-3-11(18)19)21(29)13-5-12-14-7-30-8-15(14)20(26)27-17(12)6-16(13)23/h2-6,18,22H,7-9H2,1H3,(H2,26,27)/t18-/m1/s1.
What are the key properties of 4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 445.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3S)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 170556793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).