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

C18H22N4O — CID 71228813

IUPAC4-(pyridin-2-ylmethyl)-2,3,6,7,9,10-hexahydro-[1,4]oxazino[2,3-h][3]benzazepin-8-amine
SMILESNN1CCc2cc3c(cc2CC1)N(Cc1ccccn1)CCO3
InChIInChI=1S/C18H22N4O/c19-22-7-4-14-11-17-18(12-15(14)5-8-22)23-10-9-21(17)13-16-3-1-2-6-20-16/h1-3,6,11-12H,4-5,7-10,13,19H2
InChIKeyHPMZFRPTXCWNOW-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.75
Rot. Bonds2

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

4-(pyridin-2-ylmethyl)-2,3,6,7,9,10-hexahydro-[1,4]oxazino[2,3-h][3]benzazepin-8-amine (PubChem CID 71228813) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)-2,3,6,7,9,10-hexahydro-[1,4]oxazino[2,3-h][3]benzazepin-8-amine.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)-2,3,6,7,9,10-hexahydro-[1,4]oxazino[2,3-h][3]benzazepin-8-amine
PubChem CID71228813
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-(pyridin-2-ylmethyl)-2,3,6,7,9,10-hexahydro-[1,4]oxazino[2,3-h][3]benzazepin-8-amine
SMILESNN1CCc2cc3c(cc2CC1)N(Cc1ccccn1)CCO3
InChIInChI=1S/C18H22N4O/c19-22-7-4-14-11-17-18(12-15(14)5-8-22)23-10-9-21(17)13-16-3-1-2-6-20-16/h1-3,6,11-12H,4-5,7-10,13,19H2
InChIKeyHPMZFRPTXCWNOW-UHFFFAOYSA-N
XLogP1.75
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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

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Related Compounds

4-Methyl-7-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 25180102
7-Methoxy-3-(1-quinoxalin-6-ylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 146412475
4-[(4-Fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine
CID 117075137
7-(5-fluoro-3-piperazin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 171092612
5-methyl-2-pyridin-2-yl-8-(2,2,2-trifluoroacetyl)-3,7,9,10-tetrahydro-2H-pyrido[3,4-h][1,5]benzoxazepin-4-one
CID 175778009
7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 170266201
6-Methoxy-7-(piperidin-1-yl)isoquinoline
CID 137347792
8-Butoxy-5-pyrazin-2-ylquinoline
CID 164668083
5-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline
CID 4702096
5-[[4-(2-Fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline
CID 4702097
4-(1-Azepanyl)-5-[4-(2-quinoxalinyl)phenoxy]phthalonitrile
CID 9498491
4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine
CID 117074952

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethyl)-2,3,6,7,9,10-hexahydro-[1,4]oxazino[2,3-h][3]benzazepin-8-amine?
The IUPAC name of 4-(pyridin-2-ylmethyl)-2,3,6,7,9,10-hexahydro-[1,4]oxazino[2,3-h][3]benzazepin-8-amine (CID 71228813) is 4-(pyridin-2-ylmethyl)-2,3,6,7,9,10-hexahydro-[1,4]oxazino[2,3-h][3]benzazepin-8-amine.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)-2,3,6,7,9,10-hexahydro-[1,4]oxazino[2,3-h][3]benzazepin-8-amine?
The canonical SMILES for 4-(pyridin-2-ylmethyl)-2,3,6,7,9,10-hexahydro-[1,4]oxazino[2,3-h][3]benzazepin-8-amine is NN1CCc2cc3c(cc2CC1)N(Cc1ccccn1)CCO3.
What is the InChIKey of 4-(pyridin-2-ylmethyl)-2,3,6,7,9,10-hexahydro-[1,4]oxazino[2,3-h][3]benzazepin-8-amine?
The InChIKey is HPMZFRPTXCWNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c19-22-7-4-14-11-17-18(12-15(14)5-8-22)23-10-9-21(17)13-16-3-1-2-6-20-16/h1-3,6,11-12H,4-5,7-10,13,19H2.
What are the key properties of 4-(pyridin-2-ylmethyl)-2,3,6,7,9,10-hexahydro-[1,4]oxazino[2,3-h][3]benzazepin-8-amine?
4-(pyridin-2-ylmethyl)-2,3,6,7,9,10-hexahydro-[1,4]oxazino[2,3-h][3]benzazepin-8-amine has a molecular weight of 310.40 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)-2,3,6,7,9,10-hexahydro-[1,4]oxazino[2,3-h][3]benzazepin-8-amine is sourced from PubChem (CID 71228813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).