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

C24H25F2N5O4 — CID 66774103

IUPAC6-[[[(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
SMILESO=C1COc2ccc(CN[C@@H]3CCN(CCn4c(=O)ccc5c(F)cc(F)cc54)C[C@@H]3O)nc2N1
InChIInChI=1S/C24H25F2N5O4/c25-14-9-17(26)16-2-4-23(34)31(19(16)10-14)8-7-30-6-5-18(20(32)12-30)27-11-15-1-3-21-24(28-15)29-22(33)13-35-21/h1-4,9-10,18,20,27,32H,5-8,11-13H2,(H,28,29,33)/t18-,20+/m1/s1
InChIKeyUOCVCRVSHLSWJN-QUCCMNQESA-N
MW485.49 g/mol
LogP1.23
Rot. Bonds6

About 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

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 (PubChem CID 66774103) has the molecular formula C24H25F2N5O4 and a molecular weight of 485.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[[(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
PubChem CID66774103
Molecular FormulaC24H25F2N5O4
Molecular Weight485.49 g/mol
Exact Mass485.19
IUPAC Name6-[[[(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
SMILESO=C1COc2ccc(CN[C@@H]3CCN(CCn4c(=O)ccc5c(F)cc(F)cc54)C[C@@H]3O)nc2N1
InChIInChI=1S/C24H25F2N5O4/c25-14-9-17(26)16-2-4-23(34)31(19(16)10-14)8-7-30-6-5-18(20(32)12-30)27-11-15-1-3-21-24(28-15)29-22(33)13-35-21/h1-4,9-10,18,20,27,32H,5-8,11-13H2,(H,28,29,33)/t18-,20+/m1/s1
InChIKeyUOCVCRVSHLSWJN-QUCCMNQESA-N
XLogP1.23
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[(3R,4S)-3-hydroxy-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-2-oxoquinoline-7-carbonitrile;dihydrochloride
CID 25008764
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
6-[[[(3R,4S)-3-hydroxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 25008766
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)-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
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
6-[[[(3R)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143608556
6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 68508078
1-[2-[4-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-ylmethylamino)piperidin-1-yl]ethyl]-5,7-difluoroquinolin-2-one;formic acid
CID 86635325
1-[2-[4-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-ylmethylamino)piperidin-1-yl]ethyl]-5,7-difluoroquinolin-2-one
CID 25032262
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
but-2-enedioic acid;6-[[[(3S,4S)-4-hydroxy-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 68993659

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1COc2ccc(CN[C@@H]3CCN(CCn4c(=O)ccc5c(F)cc(F)cc54)C[C@@H]3O)nc2N1.
What is the InChIKey of 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?
The InChIKey is UOCVCRVSHLSWJN-QUCCMNQESA-N. The full InChI is InChI=1S/C24H25F2N5O4/c25-14-9-17(26)16-2-4-23(34)31(19(16)10-14)8-7-30-6-5-18(20(32)12-30)27-11-15-1-3-21-24(28-15)29-22(33)13-35-21/h1-4,9-10,18,20,27,32H,5-8,11-13H2,(H,28,29,33)/t18-,20+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 485.49 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66774103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).