7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine

C14H14N2O2 — CID 70423187

IUPAC7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine
SMILESCOc1cccc2c1OC(N)c1ncccc1C2
InChIInChI=1S/C14H14N2O2/c1-17-11-6-2-4-10-8-9-5-3-7-16-12(9)14(15)18-13(10)11/h2-7,14H,8,15H2,1H3
InChIKeyXLWATKUVYAYKMP-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.03
Rot. Bonds1

About 7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine

7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine (PubChem CID 70423187) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine
PubChem CID70423187
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine
SMILESCOc1cccc2c1OC(N)c1ncccc1C2
InChIInChI=1S/C14H14N2O2/c1-17-11-6-2-4-10-8-9-5-3-7-16-12(9)14(15)18-13(10)11/h2-7,14H,8,15H2,1H3
InChIKeyXLWATKUVYAYKMP-UHFFFAOYSA-N
XLogP2.03
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
2-(azetidin-3-yl)-3-methoxypyridine
CID 130160263
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol
CID 115819406
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methoxyphenyl)methanamine
CID 79745843
1,8-dimethoxy-9,10-dihydroanthracene
CID 12651974
4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine
CID 83838435
N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 67938299
(2S)-8-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70128617
3-methoxy-2-(oxiran-2-ylmethoxy)pyridine
CID 13195077
(3R)-3-(3-methoxy-2-pyridinyl)morpholine
CID 130624928
9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 84619158
2-(2,6-dimethoxyphenoxy)pyridin-3-amine
CID 16783505

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine?
The IUPAC name of 7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine (CID 70423187) is 7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine.
What is the SMILES notation for 7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine?
The canonical SMILES for 7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine is COc1cccc2c1OC(N)c1ncccc1C2.
What is the InChIKey of 7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine?
The InChIKey is XLWATKUVYAYKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-17-11-6-2-4-10-8-9-5-3-7-16-12(9)14(15)18-13(10)11/h2-7,14H,8,15H2,1H3.
What are the key properties of 7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine?
7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine has a molecular weight of 242.28 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine is sourced from PubChem (CID 70423187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).