4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C21H18F5N5O3 — CID 163383632

IUPAC4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESC[C@H](c1ncc(F)cn1)N(CCOC(F)(F)F)C(=O)c1cc2c3c(c(N)nc2cc1F)COC3
InChIInChI=1S/C21H18F5N5O3/c1-10(19-28-6-11(22)7-29-19)31(2-3-34-21(24,25)26)20(32)13-4-12-14-8-33-9-15(14)18(27)30-17(12)5-16(13)23/h4-7,10H,2-3,8-9H2,1H3,(H2,27,30)/t10-/m1/s1
InChIKeyLMSUQDGNYYMHFC-SNVBAGLBSA-N
MW483.40 g/mol
LogP3.66
Rot. Bonds6

About 4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163383632) has the molecular formula C21H18F5N5O3 and a molecular weight of 483.40 g/mol. Its IUPAC name is 4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID163383632
Molecular FormulaC21H18F5N5O3
Molecular Weight483.40 g/mol
Exact Mass483.13
IUPAC Name4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESC[C@H](c1ncc(F)cn1)N(CCOC(F)(F)F)C(=O)c1cc2c3c(c(N)nc2cc1F)COC3
InChIInChI=1S/C21H18F5N5O3/c1-10(19-28-6-11(22)7-29-19)31(2-3-34-21(24,25)26)20(32)13-4-12-14-8-33-9-15(14)18(27)30-17(12)5-16(13)23/h4-7,10H,2-3,8-9H2,1H3,(H2,27,30)/t10-/m1/s1
InChIKeyLMSUQDGNYYMHFC-SNVBAGLBSA-N
XLogP3.66
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163383632) is 4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is C[C@H](c1ncc(F)cn1)N(CCOC(F)(F)F)C(=O)c1cc2c3c(c(N)nc2cc1F)COC3.
What is the InChIKey of 4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is LMSUQDGNYYMHFC-SNVBAGLBSA-N. The full InChI is InChI=1S/C21H18F5N5O3/c1-10(19-28-6-11(22)7-29-19)31(2-3-34-21(24,25)26)20(32)13-4-12-14-8-33-9-15(14)18(27)30-17(12)5-16(13)23/h4-7,10H,2-3,8-9H2,1H3,(H2,27,30)/t10-/m1/s1.
What are the key properties of 4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 483.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163383632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).