6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C24H25FN4O6 — CID 164617751

IUPAC6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ccc(F)c(C[C@H](O)C3OCC(NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1
InChIInChI=1S/C24H25FN4O6/c1-32-21-7-3-13-2-5-17(25)16(22(13)29-21)8-18(30)24-34-10-15(11-35-24)26-9-14-4-6-19-23(27-14)28-20(31)12-33-19/h2-7,15,18,24,26,30H,8-12H2,1H3,(H,27,28,31)/t15?,18-,24?/m0/s1
InChIKeyJHJANKDCEYKCQY-NFUMSIQGSA-N
MW484.48 g/mol
LogP1.54
Rot. Bonds7

About 6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 164617751) has the molecular formula C24H25FN4O6 and a molecular weight of 484.48 g/mol. Its IUPAC name is 6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID164617751
Molecular FormulaC24H25FN4O6
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC Name6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ccc(F)c(C[C@H](O)C3OCC(NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1
InChIInChI=1S/C24H25FN4O6/c1-32-21-7-3-13-2-5-17(25)16(22(13)29-21)8-18(30)24-34-10-15(11-35-24)26-9-14-4-6-19-23(27-14)28-20(31)12-33-19/h2-7,15,18,24,26,30H,8-12H2,1H3,(H,27,28,31)/t15?,18-,24?/m0/s1
InChIKeyJHJANKDCEYKCQY-NFUMSIQGSA-N
XLogP1.54
TPSA124.06 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[({(1r,4s)-1-[(1s)-2-(3-Fluoro-6-Methoxy-1,5-Naphthyridin-4-Yl)-1-Hydroxyethyl]-2-Oxabicyclo[2.2.2]oct-4-Yl}amino)methyl]-2h-Pyrido[3,2-B][1,4]oxazin-3(4h)-One
CID 74627726
6-[[[(3R,6S)-6-[(1R)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129265
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129266
6-[[[(3R,6S)-6-[(1S)-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 25129956
6-[[[(3R,6S)-6-[1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67366123
6-[[[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 145968279
6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 162671838
Topoisomerase inhibitor 5
CID 164625099
6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44528949
6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 73333737
AM-8191 HCl
CID 90644678
6-[[[1-[2-(2,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118736044

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 164617751) is 6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ccc(F)c(C[C@H](O)C3OCC(NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1.
What is the InChIKey of 6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is JHJANKDCEYKCQY-NFUMSIQGSA-N. The full InChI is InChI=1S/C24H25FN4O6/c1-32-21-7-3-13-2-5-17(25)16(22(13)29-21)8-18(30)24-34-10-15(11-35-24)26-9-14-4-6-19-23(27-14)28-20(31)12-33-19/h2-7,15,18,24,26,30H,8-12H2,1H3,(H,27,28,31)/t15?,18-,24?/m0/s1.
What are the key properties of 6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 484.48 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 164617751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).