2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride

C7H9ClN2O — CID 164886209

IUPAC2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride
SMILESCl.c1cc2c(cn1)OCCN2
InChIInChI=1S/C7H8N2O.ClH/c1-2-8-5-7-6(1)9-3-4-10-7;/h1-2,5,9H,3-4H2;1H
InChIKeyDZEZNCKZILBVNX-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.31
Rot. Bonds

About 2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride

2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride (PubChem CID 164886209) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride
PubChem CID164886209
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride
SMILESCl.c1cc2c(cn1)OCCN2
InChIInChI=1S/C7H8N2O.ClH/c1-2-8-5-7-6(1)9-3-4-10-7;/h1-2,5,9H,3-4H2;1H
InChIKeyDZEZNCKZILBVNX-UHFFFAOYSA-N
XLogP1.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine
CID 58996089
7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
CID 56965755
3,4-dihydro-2H-benzo[g][1,4]benzoxazine
CID 83789533
3,4-dihydro-2H-1,4-benzoxazin-7-amine
CID 11480537
3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane
CID 167717191
3,4-dihydro-2H-1,4-benzoxazine-7-carbonitrile
CID 53403839
3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;dihydrochloride
CID 141075703
2,3,4,5-tetrahydropyrido[3,4-h][1,4]benzoxazepine
CID 155364431
ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 142558688
7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine
CID 162441455
6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571249
7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
CID 155612954

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride?
The IUPAC name of 2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride (CID 164886209) is 2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride?
The canonical SMILES for 2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride is Cl.c1cc2c(cn1)OCCN2.
What is the InChIKey of 2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride?
The InChIKey is DZEZNCKZILBVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.ClH/c1-2-8-5-7-6(1)9-3-4-10-7;/h1-2,5,9H,3-4H2;1H.
What are the key properties of 2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride?
2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride has a molecular weight of 172.62 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride is sourced from PubChem (CID 164886209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).