Ethyl 2-amino-8'-fluoro-6'-methyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-3-carboxylate

C27H29FN2O5 — CID 17078983

IUPAC—
SMILESCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)N1c3c(cc(F)cc32)C(C)CC12CCCC2
InChIInChI=1S/C27H29FN2O5/c1-3-34-24(32)21-23(29)35-19-8-6-7-18(31)20(19)27(21)17-12-15(28)11-16-14(2)13-26(9-4-5-10-26)30(22(16)17)25(27)33/h11-12,14H,3-10,13,29H2,1-2H3
InChIKeyJHAWPHSOPRYIJG-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.00
Rot. Bonds2

About Ethyl 2-amino-8'-fluoro-6'-methyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-3-carboxylate

Ethyl 2-amino-8'-fluoro-6'-methyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-3-carboxylate (PubChem CID 17078983) has the molecular formula C27H29FN2O5 and a molecular weight of 480.54 g/mol.

Molecular Properties

Compound NameEthyl 2-amino-8'-fluoro-6'-methyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-3-carboxylate
PubChem CID17078983
Molecular FormulaC27H29FN2O5
Molecular Weight480.54 g/mol
Exact Mass480.21
IUPAC Name—
SMILESCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)N1c3c(cc(F)cc32)C(C)CC12CCCC2
InChIInChI=1S/C27H29FN2O5/c1-3-34-24(32)21-23(29)35-19-8-6-7-18(31)20(19)27(21)17-12-15(28)11-16-14(2)13-26(9-4-5-10-26)30(22(16)17)25(27)33/h11-12,14H,3-10,13,29H2,1-2H3
InChIKeyJHAWPHSOPRYIJG-UHFFFAOYSA-N
XLogP4.00
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze Ethyl 2-amino-8'-fluoro-6'-methyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of Ethyl 2-amino-8'-fluoro-6'-methyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-3-carboxylate?
The IUPAC name of Ethyl 2-amino-8'-fluoro-6'-methyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-3-carboxylate (CID 17078983) is not available.
What is the SMILES notation for Ethyl 2-amino-8'-fluoro-6'-methyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-3-carboxylate?
The canonical SMILES for Ethyl 2-amino-8'-fluoro-6'-methyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-3-carboxylate is CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)N1c3c(cc(F)cc32)C(C)CC12CCCC2.
What is the InChIKey of Ethyl 2-amino-8'-fluoro-6'-methyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-3-carboxylate?
The InChIKey is JHAWPHSOPRYIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O5/c1-3-34-24(32)21-23(29)35-19-8-6-7-18(31)20(19)27(21)17-12-15(28)11-16-14(2)13-26(9-4-5-10-26)30(22(16)17)25(27)33/h11-12,14H,3-10,13,29H2,1-2H3.
What are the key properties of Ethyl 2-amino-8'-fluoro-6'-methyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-3-carboxylate?
Ethyl 2-amino-8'-fluoro-6'-methyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-3-carboxylate has a molecular weight of 480.54 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 2-amino-8'-fluoro-6'-methyl-2',5-dioxo-5,5',6,6',7,8-hexahydrodispiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-3-carboxylate is sourced from PubChem (CID 17078983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).