4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

C18H21N3O — CID 58495316

IUPAC4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESc1ccc(CN2CCOc3cc4c(cc32)CCNCC4)nc1
InChIInChI=1S/C18H21N3O/c1-2-6-20-16(3-1)13-21-9-10-22-18-12-15-5-8-19-7-4-14(15)11-17(18)21/h1-3,6,11-12,19H,4-5,7-10,13H2
InChIKeySXHUJPKEYGQCSI-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.17
Rot. Bonds2

About 4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (PubChem CID 58495316) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
PubChem CID58495316
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESc1ccc(CN2CCOc3cc4c(cc32)CCNCC4)nc1
InChIInChI=1S/C18H21N3O/c1-2-6-20-16(3-1)13-21-9-10-22-18-12-15-5-8-19-7-4-14(15)11-17(18)21/h1-3,6,11-12,19H,4-5,7-10,13H2
InChIKeySXHUJPKEYGQCSI-UHFFFAOYSA-N
XLogP2.17
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The IUPAC name of 4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (CID 58495316) is 4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The canonical SMILES for 4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is c1ccc(CN2CCOc3cc4c(cc32)CCNCC4)nc1.
What is the InChIKey of 4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The InChIKey is SXHUJPKEYGQCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-6-20-16(3-1)13-21-9-10-22-18-12-15-5-8-19-7-4-14(15)11-17(18)21/h1-3,6,11-12,19H,4-5,7-10,13H2.
What are the key properties of 4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine has a molecular weight of 295.39 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is sourced from PubChem (CID 58495316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).