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

C23H22F2N4O4 — CID 169247762

IUPAC2-(3,3-difluoropyrrolidin-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(nc2N2CCC(F)(F)C2)COC3)cc2c(C)cc(=O)[nH]c12
InChIInChI=1S/C23H22F2N4O4/c1-12-5-19(30)28-20-15(12)7-14(8-18(20)32-2)26-22(31)16-6-13-9-33-10-17(13)27-21(16)29-4-3-23(24,25)11-29/h5-8H,3-4,9-11H2,1-2H3,(H,26,31)(H,28,30)
InChIKeyQACBRLMLAGXUHM-UHFFFAOYSA-N
MW456.45 g/mol
LogP3.37
Rot. Bonds4

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

2-(3,3-difluoropyrrolidin-1-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide (PubChem CID 169247762) has the molecular formula C23H22F2N4O4 and a molecular weight of 456.45 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-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-(3,3-difluoropyrrolidin-1-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide
PubChem CID169247762
Molecular FormulaC23H22F2N4O4
Molecular Weight456.45 g/mol
Exact Mass456.16
IUPAC Name2-(3,3-difluoropyrrolidin-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(nc2N2CCC(F)(F)C2)COC3)cc2c(C)cc(=O)[nH]c12
InChIInChI=1S/C23H22F2N4O4/c1-12-5-19(30)28-20-15(12)7-14(8-18(20)32-2)26-22(31)16-6-13-9-33-10-17(13)27-21(16)29-4-3-23(24,25)11-29/h5-8H,3-4,9-11H2,1-2H3,(H,26,31)(H,28,30)
InChIKeyQACBRLMLAGXUHM-UHFFFAOYSA-N
XLogP3.37
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3,3-difluoropyrrolidin-1-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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Related Compounds

N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2S)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide
CID 170309307
N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-(1-methyl-2-azabicyclo[2.1.1]hexan-2-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide
CID 170309320
tert-butyl N-methyl-N-[2-[[4-methyl-6-[(2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl)amino]-2-oxo-1H-quinolin-8-yl]oxy]ethyl]carbamate
CID 170309325
(E)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-methyl-4-methylidenehex-2-enamide
CID 169247733
6-amino-8-methoxy-4-methyl-1H-quinolin-2-one;ethane
CID 169247715
5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 140820718
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide
CID 170178945
N-(3-carbamoylphenyl)-2-(4,4-difluoroazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 169264411
2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid
CID 169247742
N-(7-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5-(1-methylpyrazol-4-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 118694909
6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 143994451
methyl 3-[[2-(4,4-difluoroazepan-1-yl)-1,8-naphthyridine-3-carbonyl]amino]benzoate
CID 169264234

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-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-(3,3-difluoropyrrolidin-1-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide (CID 169247762) is 2-(3,3-difluoropyrrolidin-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-(3,3-difluoropyrrolidin-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-(3,3-difluoropyrrolidin-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(nc2N2CCC(F)(F)C2)COC3)cc2c(C)cc(=O)[nH]c12.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-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 QACBRLMLAGXUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O4/c1-12-5-19(30)28-20-15(12)7-14(8-18(20)32-2)26-22(31)16-6-13-9-33-10-17(13)27-21(16)29-4-3-23(24,25)11-29/h5-8H,3-4,9-11H2,1-2H3,(H,26,31)(H,28,30).
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?
2-(3,3-difluoropyrrolidin-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 456.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-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 169247762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).