(4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine

C17H21FN4O2 — CID 124881405

IUPAC(4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCOc1ccc2c(N3CCO[C@H]4CCN(C)C[C@@H]43)ncnc2c1F
InChIInChI=1S/C17H21FN4O2/c1-21-6-5-13-12(9-21)22(7-8-24-13)17-11-3-4-14(23-2)15(18)16(11)19-10-20-17/h3-4,10,12-13H,5-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyUDONTKGJTLNVEF-STQMWFEESA-N
MW332.38 g/mol
LogP1.69
Rot. Bonds2

About (4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine

(4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine (PubChem CID 124881405) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is (4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name(4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
PubChem CID124881405
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name(4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCOc1ccc2c(N3CCO[C@H]4CCN(C)C[C@@H]43)ncnc2c1F
InChIInChI=1S/C17H21FN4O2/c1-21-6-5-13-12(9-21)22(7-8-24-13)17-11-3-4-14(23-2)15(18)16(11)19-10-20-17/h3-4,10,12-13H,5-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyUDONTKGJTLNVEF-STQMWFEESA-N
XLogP1.69
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine with MolForge

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Related Compounds

4-[1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidin-3-yl]morpholine
CID 154763946
4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline
CID 167921529
[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 129485599
[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone
CID 167858885
N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide
CID 126838765
4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine
CID 133493384
3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one
CID 139800922
[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 129486069
bis[[1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxy]-oxophosphanium
CID 175457534
4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline
CID 100684175
(3,4-dimethoxyphenyl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone
CID 128974421
4-(8-methoxyquinazolin-4-yl)thiomorpholine
CID 171802301

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The IUPAC name of (4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine (CID 124881405) is (4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for (4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The canonical SMILES for (4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine is COc1ccc2c(N3CCO[C@H]4CCN(C)C[C@@H]43)ncnc2c1F.
What is the InChIKey of (4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The InChIKey is UDONTKGJTLNVEF-STQMWFEESA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-21-6-5-13-12(9-21)22(7-8-24-13)17-11-3-4-14(23-2)15(18)16(11)19-10-20-17/h3-4,10,12-13H,5-9H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
(4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine has a molecular weight of 332.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 124881405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).