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

C23H23FN4O5 — CID 169247652

IUPACN-(7-fluoro-8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide
SMILESCOc1c(F)c(NC(=O)c2cc3c(nc2N2CCOCC2)COC3)cc2c(C)cc(=O)[nH]c12
InChIInChI=1S/C23H23FN4O5/c1-12-7-18(29)27-20-14(12)9-16(19(24)21(20)31-2)26-23(30)15-8-13-10-33-11-17(13)25-22(15)28-3-5-32-6-4-28/h7-9H,3-6,10-11H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyMVNUWAWZDTUMMO-UHFFFAOYSA-N
MW454.46 g/mol
LogP2.50
Rot. Bonds4

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

N-(7-fluoro-8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide (PubChem CID 169247652) has the molecular formula C23H23FN4O5 and a molecular weight of 454.46 g/mol. Its IUPAC name is N-(7-fluoro-8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-fluoro-8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide
PubChem CID169247652
Molecular FormulaC23H23FN4O5
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC NameN-(7-fluoro-8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide
SMILESCOc1c(F)c(NC(=O)c2cc3c(nc2N2CCOCC2)COC3)cc2c(C)cc(=O)[nH]c12
InChIInChI=1S/C23H23FN4O5/c1-12-7-18(29)27-20-14(12)9-16(19(24)21(20)31-2)26-23(30)15-8-13-10-33-11-17(13)25-22(15)28-3-5-32-6-4-28/h7-9H,3-6,10-11H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyMVNUWAWZDTUMMO-UHFFFAOYSA-N
XLogP2.50
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-(7-fluoro-8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide (CID 169247652) is N-(7-fluoro-8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(7-fluoro-8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-(7-fluoro-8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide is COc1c(F)c(NC(=O)c2cc3c(nc2N2CCOCC2)COC3)cc2c(C)cc(=O)[nH]c12.
What is the InChIKey of N-(7-fluoro-8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?
The InChIKey is MVNUWAWZDTUMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O5/c1-12-7-18(29)27-20-14(12)9-16(19(24)21(20)31-2)26-23(30)15-8-13-10-33-11-17(13)25-22(15)28-3-5-32-6-4-28/h7-9H,3-6,10-11H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-(7-fluoro-8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide?
N-(7-fluoro-8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide has a molecular weight of 454.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 169247652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).