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

C22H17ClF3N3O3 — CID 164867503

IUPAC4-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
SMILESCN(C(=O)c1cc2c3c(c(N)nc2cc1Cl)COC3)[C@H]1COc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H17ClF3N3O3/c1-29(18-9-32-19-4-10(22(24,25)26)2-3-11(18)19)21(30)13-5-12-14-7-31-8-15(14)20(27)28-17(12)6-16(13)23/h2-6,18H,7-9H2,1H3,(H2,27,28)/t18-/m0/s1
InChIKeyKQZVHWBRGDGNLH-SFHVURJKSA-N
MW463.84 g/mol
LogP4.73
Rot. Bonds2

About 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

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 (PubChem CID 164867503) has the molecular formula C22H17ClF3N3O3 and a molecular weight of 463.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID164867503
Molecular FormulaC22H17ClF3N3O3
Molecular Weight463.84 g/mol
Exact Mass463.09
IUPAC Name4-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
SMILESCN(C(=O)c1cc2c3c(c(N)nc2cc1Cl)COC3)[C@H]1COc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H17ClF3N3O3/c1-29(18-9-32-19-4-10(22(24,25)26)2-3-11(18)19)21(30)13-5-12-14-7-31-8-15(14)20(27)28-17(12)6-16(13)23/h2-6,18H,7-9H2,1H3,(H2,27,28)/t18-/m0/s1
InChIKeyKQZVHWBRGDGNLH-SFHVURJKSA-N
XLogP4.73
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.84
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-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-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-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-[(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-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
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-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-[(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
4-amino-7-fluoro-N-methyl-N-[(3S)-6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 171432236
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C(=O)c1cc2c3c(c(N)nc2cc1Cl)COC3)[C@H]1COc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 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?
The InChIKey is KQZVHWBRGDGNLH-SFHVURJKSA-N. The full InChI is InChI=1S/C22H17ClF3N3O3/c1-29(18-9-32-19-4-10(22(24,25)26)2-3-11(18)19)21(30)13-5-12-14-7-31-8-15(14)20(27)28-17(12)6-16(13)23/h2-6,18H,7-9H2,1H3,(H2,27,28)/t18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 463.84 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164867503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).