4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

C26H16F2N4O6 — CID 58371651

IUPAC4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESCn1c(=O)[nH]c(=O)c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc21
InChIInChI=1S/C26H16F2N4O6/c1-31-17-8-15(27)11(7-14(17)24(34)30-26(31)37)10-32-18-9-16(28)12-4-6-38-22(12)20(18)19(21(32)25(35)36)13-3-2-5-29-23(13)33/h2-9H,10H2,1H3,(H,29,33)(H,35,36)(H,30,34,37)
InChIKeyFZXGSVRUJSNBMI-UHFFFAOYSA-N
MW518.43 g/mol
LogP3.31
Rot. Bonds4

About 4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 58371651) has the molecular formula C26H16F2N4O6 and a molecular weight of 518.43 g/mol. Its IUPAC name is 4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID58371651
Molecular FormulaC26H16F2N4O6
Molecular Weight518.43 g/mol
Exact Mass518.10
IUPAC Name4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESCn1c(=O)[nH]c(=O)c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc21
InChIInChI=1S/C26H16F2N4O6/c1-31-17-8-15(27)11(7-14(17)24(34)30-26(31)37)10-32-18-9-16(28)12-4-6-38-22(12)20(18)19(21(32)25(35)36)13-3-2-5-29-23(13)33/h2-9H,10H2,1H3,(H,29,33)(H,35,36)(H,30,34,37)
InChIKeyFZXGSVRUJSNBMI-UHFFFAOYSA-N
XLogP3.31
TPSA143.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.43
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 58371651) is 4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is Cn1c(=O)[nH]c(=O)c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc21.
What is the InChIKey of 4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is FZXGSVRUJSNBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F2N4O6/c1-31-17-8-15(27)11(7-14(17)24(34)30-26(31)37)10-32-18-9-16(28)12-4-6-38-22(12)20(18)19(21(32)25(35)36)13-3-2-5-29-23(13)33/h2-9H,10H2,1H3,(H,29,33)(H,35,36)(H,30,34,37).
What are the key properties of 4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 518.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 58371651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).