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

C24H25FN4O6 — CID 164625099

IUPAC6-[[[2-[(1S)-2-(3-fluoro-6-methoxyquinolin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(F)c(C[C@H](O)C3OCC(NCc4ccc5c(n4)NC(=O)CO5)CO3)c2c1
InChIInChI=1S/C24H25FN4O6/c1-32-15-3-4-19-17(6-15)16(18(25)9-27-19)7-20(30)24-34-10-14(11-35-24)26-8-13-2-5-21-23(28-13)29-22(31)12-33-21/h2-6,9,14,20,24,26,30H,7-8,10-12H2,1H3,(H,28,29,31)/t14?,20-,24?/m0/s1
InChIKeyLHPGCGRDVFMGGQ-YZGIJOFESA-N
MW484.48 g/mol
LogP1.54
Rot. Bonds7

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

6-[[[2-[(1S)-2-(3-fluoro-6-methoxyquinolin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 164625099) has the molecular formula C24H25FN4O6 and a molecular weight of 484.48 g/mol. Its IUPAC name is 6-[[[2-[(1S)-2-(3-fluoro-6-methoxyquinolin-4-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-(3-fluoro-6-methoxyquinolin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID164625099
Molecular FormulaC24H25FN4O6
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC Name6-[[[2-[(1S)-2-(3-fluoro-6-methoxyquinolin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(F)c(C[C@H](O)C3OCC(NCc4ccc5c(n4)NC(=O)CO5)CO3)c2c1
InChIInChI=1S/C24H25FN4O6/c1-32-15-3-4-19-17(6-15)16(18(25)9-27-19)7-20(30)24-34-10-14(11-35-24)26-8-13-2-5-21-23(28-13)29-22(31)12-33-21/h2-6,9,14,20,24,26,30H,7-8,10-12H2,1H3,(H,28,29,31)/t14?,20-,24?/m0/s1
InChIKeyLHPGCGRDVFMGGQ-YZGIJOFESA-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-(3-fluoro-6-methoxyquinolin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 74627726
CID 74627726
CID 10256734
CID 10256734
CID 71152871
CID 71152871
CID 25129265
CID 25129265
CID 25129266
CID 25129266
CID 25129956
CID 25129956
CID 25134040
CID 25134040
CID 67365574
CID 67365574
CID 67366123
CID 67366123
CID 71152646
CID 71152646
CID 71152743
CID 71152743
CID 71152755
CID 71152755

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-[(1S)-2-(3-fluoro-6-methoxyquinolin-4-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-(3-fluoro-6-methoxyquinolin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 164625099) is 6-[[[2-[(1S)-2-(3-fluoro-6-methoxyquinolin-4-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-(3-fluoro-6-methoxyquinolin-4-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-(3-fluoro-6-methoxyquinolin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ncc(F)c(C[C@H](O)C3OCC(NCc4ccc5c(n4)NC(=O)CO5)CO3)c2c1.
What is the InChIKey of 6-[[[2-[(1S)-2-(3-fluoro-6-methoxyquinolin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is LHPGCGRDVFMGGQ-YZGIJOFESA-N. The full InChI is InChI=1S/C24H25FN4O6/c1-32-15-3-4-19-17(6-15)16(18(25)9-27-19)7-20(30)24-34-10-14(11-35-24)26-8-13-2-5-21-23(28-13)29-22(31)12-33-21/h2-6,9,14,20,24,26,30H,7-8,10-12H2,1H3,(H,28,29,31)/t14?,20-,24?/m0/s1.
What are the key properties of 6-[[[2-[(1S)-2-(3-fluoro-6-methoxyquinolin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[2-[(1S)-2-(3-fluoro-6-methoxyquinolin-4-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-(3-fluoro-6-methoxyquinolin-4-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 164625099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).