[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone

C16H18N4O2 — CID 136586518

IUPAC[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone
SMILESCN1CCO[C@@H]2CN(C(=O)c3nccc4cccnc34)C[C@@H]21
InChIInChI=1S/C16H18N4O2/c1-19-7-8-22-13-10-20(9-12(13)19)16(21)15-14-11(4-6-18-15)3-2-5-17-14/h2-6,12-13H,7-10H2,1H3/t12-,13+/m0/s1
InChIKeyWPZDQKODJCNDQR-QWHCGFSZSA-N
MW298.35 g/mol
LogP0.78
Rot. Bonds1

About [(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone

[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone (PubChem CID 136586518) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone.

Molecular Properties

Compound Name[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone
PubChem CID136586518
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone
SMILESCN1CCO[C@@H]2CN(C(=O)c3nccc4cccnc34)C[C@@H]21
InChIInChI=1S/C16H18N4O2/c1-19-7-8-22-13-10-20(9-12(13)19)16(21)15-14-11(4-6-18-15)3-2-5-17-14/h2-6,12-13H,7-10H2,1H3/t12-,13+/m0/s1
InChIKeyWPZDQKODJCNDQR-QWHCGFSZSA-N
XLogP0.78
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone?
The IUPAC name of [(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone (CID 136586518) is [(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone.
What is the SMILES notation for [(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone?
The canonical SMILES for [(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone is CN1CCO[C@@H]2CN(C(=O)c3nccc4cccnc34)C[C@@H]21.
What is the InChIKey of [(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone?
The InChIKey is WPZDQKODJCNDQR-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19-7-8-22-13-10-20(9-12(13)19)16(21)15-14-11(4-6-18-15)3-2-5-17-14/h2-6,12-13H,7-10H2,1H3/t12-,13+/m0/s1.
What are the key properties of [(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone?
[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone has a molecular weight of 298.35 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone is sourced from PubChem (CID 136586518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).