7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one

C25H25FN6O4 — CID 118868402

IUPAC7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESO=C1COc2ccc(CNC3CCN(CCn4c(=O)c5ncoc5c5ccc(F)cc54)CC3)nc2N1
InChIInChI=1S/C25H25FN6O4/c26-15-1-3-18-19(11-15)32(25(34)22-23(18)36-14-28-22)10-9-31-7-5-16(6-8-31)27-12-17-2-4-20-24(29-17)30-21(33)13-35-20/h1-4,11,14,16,27H,5-10,12-13H2,(H,29,30,33)
InChIKeyXIFPCAXFYWCWNF-UHFFFAOYSA-N
MW492.51 g/mol
LogP2.26
Rot. Bonds6

About 7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one

7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 118868402) has the molecular formula C25H25FN6O4 and a molecular weight of 492.51 g/mol. Its IUPAC name is 7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID118868402
Molecular FormulaC25H25FN6O4
Molecular Weight492.51 g/mol
Exact Mass492.19
IUPAC Name7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESO=C1COc2ccc(CNC3CCN(CCn4c(=O)c5ncoc5c5ccc(F)cc54)CC3)nc2N1
InChIInChI=1S/C25H25FN6O4/c26-15-1-3-18-19(11-15)32(25(34)22-23(18)36-14-28-22)10-9-31-7-5-16(6-8-31)27-12-17-2-4-20-24(29-17)30-21(33)13-35-20/h1-4,11,14,16,27H,5-10,12-13H2,(H,29,30,33)
InChIKeyXIFPCAXFYWCWNF-UHFFFAOYSA-N
XLogP2.26
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.51
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 118868391
7-fluoro-2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-5-carbonitrile
CID 15982800
6-[[[(3S,4R)-1-[2-(5,7-difluoro-2-oxoquinolin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 66774103
6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 15982151
but-2-enedioic acid;7-fluoro-1-[2-[4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]piperidin-1-yl]ethyl]quinoxalin-2-one
CID 68991136
6-[[[1-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 24890996
6-[[[1-[(5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 131739478
6-[[[1-[(5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 24856532
6-[2-[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143612708
7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 44536602
6-[[[(3S,4R)-3-fluoro-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90644115
6-[[[(3S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 91333276

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 118868402) is 7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one is O=C1COc2ccc(CNC3CCN(CCn4c(=O)c5ncoc5c5ccc(F)cc54)CC3)nc2N1.
What is the InChIKey of 7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is XIFPCAXFYWCWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O4/c26-15-1-3-18-19(11-15)32(25(34)22-23(18)36-14-28-22)10-9-31-7-5-16(6-8-31)27-12-17-2-4-20-24(29-17)30-21(33)13-35-20/h1-4,11,14,16,27H,5-10,12-13H2,(H,29,30,33).
What are the key properties of 7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one?
7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 492.51 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 118868402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).