6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C25H28FN5O4 — CID 67772853

IUPAC6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ccc(F)c(C[C@@H](N)[C@H]3CC[C@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1
InChIInChI=1S/C25H28FN5O4/c1-33-23-9-3-14-2-6-18(26)17(24(14)31-23)10-19(27)20-7-5-16(12-34-20)28-11-15-4-8-21-25(29-15)30-22(32)13-35-21/h2-4,6,8-9,16,19-20,28H,5,7,10-13,27H2,1H3,(H,29,30,32)/t16-,19+,20+/m0/s1
InChIKeyQDIKXIBZHCZREP-PWIZWCRZSA-N
MW481.53 g/mol
LogP2.32
Rot. Bonds7

About 6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 67772853) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is 6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID67772853
Molecular FormulaC25H28FN5O4
Molecular Weight481.53 g/mol
Exact Mass481.21
IUPAC Name6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ccc(F)c(C[C@@H](N)[C@H]3CC[C@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1
InChIInChI=1S/C25H28FN5O4/c1-33-23-9-3-14-2-6-18(26)17(24(14)31-23)10-19(27)20-7-5-16(12-34-20)28-11-15-4-8-21-25(29-15)30-22(32)13-35-21/h2-4,6,8-9,16,19-20,28H,5,7,10-13,27H2,1H3,(H,29,30,32)/t16-,19+,20+/m0/s1
InChIKeyQDIKXIBZHCZREP-PWIZWCRZSA-N
XLogP2.32
TPSA120.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate
CID 67365947
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one
CID 68517776
(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol
CID 67432307
6-[[[4-[2-(2-methoxyquinolin-8-yl)propyl]cycloheptyl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143189363
6-[[[2-[1-hydroxy-2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 146503229
6-[[[8-[2-(6-chloro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 58989579
6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 59130269
6-[[[(3R,6S)-6-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 69471248
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-[[3-[2-(3-fluoro-6-methoxy-3,4-dihydro-1,5-naphthyridin-4-yl)ethylamino]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 145130087
2-deuterio-1-[(2S,5R)-5-(2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 46235706
6-[[[1-[2-(6-methoxy-3-oxo-1,4-benzoxazin-4-yl)ethyl]-2-oxopiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 15982154

Frequently Asked Questions

What is the IUPAC name of 6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 67772853) is 6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ccc(F)c(C[C@@H](N)[C@H]3CC[C@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1.
What is the InChIKey of 6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is QDIKXIBZHCZREP-PWIZWCRZSA-N. The full InChI is InChI=1S/C25H28FN5O4/c1-33-23-9-3-14-2-6-18(26)17(24(14)31-23)10-19(27)20-7-5-16(12-34-20)28-11-15-4-8-21-25(29-15)30-22(32)13-35-21/h2-4,6,8-9,16,19-20,28H,5,7,10-13,27H2,1H3,(H,29,30,32)/t16-,19+,20+/m0/s1.
What are the key properties of 6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 481.53 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 67772853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).