2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide

C24H22F2N4O4 — CID 169247702

IUPAC2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(nc2N2CC4C(C2)C4(F)F)COC3)cc2c(C)cc(=O)[nH]c12
InChIInChI=1S/C24H22F2N4O4/c1-11-3-20(31)29-21-14(11)5-13(6-19(21)33-2)27-23(32)15-4-12-9-34-10-18(12)28-22(15)30-7-16-17(8-30)24(16,25)26/h3-6,16-17H,7-10H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyHWWRCAOCUIHREP-UHFFFAOYSA-N
MW468.46 g/mol
LogP3.22
Rot. Bonds4

About 2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide

2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide (PubChem CID 169247702) has the molecular formula C24H22F2N4O4 and a molecular weight of 468.46 g/mol. Its IUPAC name is 2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide
PubChem CID169247702
Molecular FormulaC24H22F2N4O4
Molecular Weight468.46 g/mol
Exact Mass468.16
IUPAC Name2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(nc2N2CC4C(C2)C4(F)F)COC3)cc2c(C)cc(=O)[nH]c12
InChIInChI=1S/C24H22F2N4O4/c1-11-3-20(31)29-21-14(11)5-13(6-19(21)33-2)27-23(32)15-4-12-9-34-10-18(12)28-22(15)30-7-16-17(8-30)24(16,25)26/h3-6,16-17H,7-10H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyHWWRCAOCUIHREP-UHFFFAOYSA-N
XLogP3.22
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?
The IUPAC name of 2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide (CID 169247702) is 2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide is COc1cc(NC(=O)c2cc3c(nc2N2CC4C(C2)C4(F)F)COC3)cc2c(C)cc(=O)[nH]c12.
What is the InChIKey of 2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?
The InChIKey is HWWRCAOCUIHREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O4/c1-11-3-20(31)29-21-14(11)5-13(6-19(21)33-2)27-23(32)15-4-12-9-34-10-18(12)28-22(15)30-7-16-17(8-30)24(16,25)26/h3-6,16-17H,7-10H2,1-2H3,(H,27,32)(H,29,31).
What are the key properties of 2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?
2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide has a molecular weight of 468.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 169247702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).