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

C24H19F4N3O3 — CID 164867438

IUPAC4-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
SMILESNc1nc2cc(F)c(C(=O)N(C3CC3)[C@H]3COc4cc(C(F)(F)F)ccc43)cc2c2c1COC2
InChIInChI=1S/C24H19F4N3O3/c25-18-7-19-14(16-8-33-9-17(16)22(29)30-19)6-15(18)23(32)31(12-2-3-12)20-10-34-21-5-11(24(26,27)28)1-4-13(20)21/h1,4-7,12,20H,2-3,8-10H2,(H2,29,30)/t20-/m0/s1
InChIKeyGPXMHYNQKMNQLK-FQEVSTJZSA-N
MW473.43 g/mol
LogP4.74
Rot. Bonds3

About 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

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 (PubChem CID 164867438) has the molecular formula C24H19F4N3O3 and a molecular weight of 473.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID164867438
Molecular FormulaC24H19F4N3O3
Molecular Weight473.43 g/mol
Exact Mass473.14
IUPAC Name4-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
SMILESNc1nc2cc(F)c(C(=O)N(C3CC3)[C@H]3COc4cc(C(F)(F)F)ccc43)cc2c2c1COC2
InChIInChI=1S/C24H19F4N3O3/c25-18-7-19-14(16-8-33-9-17(16)22(29)30-19)6-15(18)23(32)31(12-2-3-12)20-10-34-21-5-11(24(26,27)28)1-4-13(20)21/h1,4-7,12,20H,2-3,8-10H2,(H2,29,30)/t20-/m0/s1
InChIKeyGPXMHYNQKMNQLK-FQEVSTJZSA-N
XLogP4.74
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nc2cc(F)c(C(=O)N(C3CC3)[C@H]3COc4cc(C(F)(F)F)ccc43)cc2c2c1COC2.
What is the InChIKey of 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?
The InChIKey is GPXMHYNQKMNQLK-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H19F4N3O3/c25-18-7-19-14(16-8-33-9-17(16)22(29)30-19)6-15(18)23(32)31(12-2-3-12)20-10-34-21-5-11(24(26,27)28)1-4-13(20)21/h1,4-7,12,20H,2-3,8-10H2,(H2,29,30)/t20-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 473.43 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164867438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).