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

C23H23FN4O4 — CID 170309313

IUPAC2-[(3S)-3-fluoropyrrolidin-1-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(nc2N2CC[C@H](F)C2)COC3)cc2c(C)cc(=O)[nH]c12
InChIInChI=1S/C23H23FN4O4/c1-12-5-20(29)27-21-16(12)7-15(8-19(21)31-2)25-23(30)17-6-13-10-32-11-18(13)26-22(17)28-4-3-14(24)9-28/h5-8,14H,3-4,9-11H2,1-2H3,(H,25,30)(H,27,29)/t14-/m0/s1
InChIKeyRAJXJAFRLMAYSD-AWEZNQCLSA-N
MW438.46 g/mol
LogP3.07
Rot. Bonds4

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

2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide (PubChem CID 170309313) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is 2-[(3S)-3-fluoropyrrolidin-1-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-[(3S)-3-fluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide
PubChem CID170309313
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC Name2-[(3S)-3-fluoropyrrolidin-1-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(nc2N2CC[C@H](F)C2)COC3)cc2c(C)cc(=O)[nH]c12
InChIInChI=1S/C23H23FN4O4/c1-12-5-20(29)27-21-16(12)7-15(8-19(21)31-2)25-23(30)17-6-13-10-32-11-18(13)26-22(17)28-4-3-14(24)9-28/h5-8,14H,3-4,9-11H2,1-2H3,(H,25,30)(H,27,29)/t14-/m0/s1
InChIKeyRAJXJAFRLMAYSD-AWEZNQCLSA-N
XLogP3.07
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-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-[(3S)-3-fluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide (CID 170309313) is 2-[(3S)-3-fluoropyrrolidin-1-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-[(3S)-3-fluoropyrrolidin-1-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-[(3S)-3-fluoropyrrolidin-1-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(nc2N2CC[C@H](F)C2)COC3)cc2c(C)cc(=O)[nH]c12.
What is the InChIKey of 2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?
The InChIKey is RAJXJAFRLMAYSD-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-12-5-20(29)27-21-16(12)7-15(8-19(21)31-2)25-23(30)17-6-13-10-32-11-18(13)26-22(17)28-4-3-14(24)9-28/h5-8,14H,3-4,9-11H2,1-2H3,(H,25,30)(H,27,29)/t14-/m0/s1.
What are the key properties of 2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?
2-[(3S)-3-fluoropyrrolidin-1-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 438.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-fluoropyrrolidin-1-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 170309313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).