7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C23H24ClFN6O4 — CID 25032456

IUPAC7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cc(Cl)c(CNC[C@H]3CN(CCn4c(=O)ccc5ncc(F)cc54)C[C@H]3O)nc2N1
InChIInChI=1S/C23H24ClFN6O4/c24-15-6-20-23(29-21(33)12-35-20)28-17(15)9-26-7-13-10-30(11-19(13)32)3-4-31-18-5-14(25)8-27-16(18)1-2-22(31)34/h1-2,5-6,8,13,19,26,32H,3-4,7,9-12H2,(H,28,29,33)/t13-,19+/m0/s1
InChIKeyILZGGZPERMOQQB-ORAYPTAESA-N
MW502.93 g/mol
LogP1.00
Rot. Bonds7

About 7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 25032456) has the molecular formula C23H24ClFN6O4 and a molecular weight of 502.93 g/mol. Its IUPAC name is 7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID25032456
Molecular FormulaC23H24ClFN6O4
Molecular Weight502.93 g/mol
Exact Mass502.15
IUPAC Name7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cc(Cl)c(CNC[C@H]3CN(CCn4c(=O)ccc5ncc(F)cc54)C[C@H]3O)nc2N1
InChIInChI=1S/C23H24ClFN6O4/c24-15-6-20-23(29-21(33)12-35-20)28-17(15)9-26-7-13-10-30(11-19(13)32)3-4-31-18-5-14(25)8-27-16(18)1-2-22(31)34/h1-2,5-6,8,13,19,26,32H,3-4,7,9-12H2,(H,28,29,33)/t13-,19+/m0/s1
InChIKeyILZGGZPERMOQQB-ORAYPTAESA-N
XLogP1.00
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.93
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

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
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-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one
CID 143612671
4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
CID 143612684
1-[2-[(3S,4S)-4-[2-(3,4-dichlorophenyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 58579416
1-[2-[(3R,4S)-4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 46846388
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
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
7-chloro-6-[[[1-[[(3R)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 24872731
[(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 68996430
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
bis(1-[2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one);methane
CID 158178400

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 25032456) is 7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2cc(Cl)c(CNC[C@H]3CN(CCn4c(=O)ccc5ncc(F)cc54)C[C@H]3O)nc2N1.
What is the InChIKey of 7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ILZGGZPERMOQQB-ORAYPTAESA-N. The full InChI is InChI=1S/C23H24ClFN6O4/c24-15-6-20-23(29-21(33)12-35-20)28-17(15)9-26-7-13-10-30(11-19(13)32)3-4-31-18-5-14(25)8-27-16(18)1-2-22(31)34/h1-2,5-6,8,13,19,26,32H,3-4,7,9-12H2,(H,28,29,33)/t13-,19+/m0/s1.
What are the key properties of 7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 502.93 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 25032456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).