(2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine

C14H14N2O — CID 175710279

IUPAC(2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine
SMILESCC[C@@H]1CN=Cc2cc3cccnc3cc2O1
InChIInChI=1S/C14H14N2O/c1-2-12-9-15-8-11-6-10-4-3-5-16-13(10)7-14(11)17-12/h3-8,12H,2,9H2,1H3/t12-/m1/s1
InChIKeyOLPULSWMSUUXET-GFCCVEGCSA-N
MW226.28 g/mol
LogP2.82
Rot. Bonds1

About (2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine

(2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine (PubChem CID 175710279) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine.

Molecular Properties

Compound Name(2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine
PubChem CID175710279
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine
SMILESCC[C@@H]1CN=Cc2cc3cccnc3cc2O1
InChIInChI=1S/C14H14N2O/c1-2-12-9-15-8-11-6-10-4-3-5-16-13(10)7-14(11)17-12/h3-8,12H,2,9H2,1H3/t12-/m1/s1
InChIKeyOLPULSWMSUUXET-GFCCVEGCSA-N
XLogP2.82
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-ethyl-3,5-dihydro-2H-pyrido[3,2-h][1,4]benzoxazepine-4-carboxylate
CID 155730675
methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate
CID 155923351
6-(2-ethylcyclopropyl)quinoline
CID 123627698
cyclododeca[g]quinoline
CID 173006173
2,3-dihydro-1H-pyrido[3,2-g][1,4]benzoxazine
CID 21353728
ethane;6-ethyl-7-fluoroquinoline
CID 142320503
9H-benzo[g]quinolin-9-ide
CID 102325536
2-ethyl-1-quinolin-6-ylcyclopropan-1-ol
CID 79333859
2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene
CID 175897219
6-[2-(oxiran-2-yl)ethyl]quinoline
CID 130239361
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
iodoethane;6-methylquinoline
CID 160581758

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine?
The IUPAC name of (2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine (CID 175710279) is (2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine.
What is the SMILES notation for (2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine?
The canonical SMILES for (2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine is CC[C@@H]1CN=Cc2cc3cccnc3cc2O1.
What is the InChIKey of (2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine?
The InChIKey is OLPULSWMSUUXET-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-12-9-15-8-11-6-10-4-3-5-16-13(10)7-14(11)17-12/h3-8,12H,2,9H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine?
(2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine has a molecular weight of 226.28 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine is sourced from PubChem (CID 175710279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).