4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine

C17H18N2O — CID 163858317

IUPAC4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine
SMILESc1ccc2c(c1)NCCC2N1CCOc2ccccc21
InChIInChI=1S/C17H18N2O/c1-2-6-14-13(5-1)15(9-10-18-14)19-11-12-20-17-8-4-3-7-16(17)19/h1-8,15,18H,9-12H2
InChIKeyPAHPBJZCQYYLDS-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.44
Rot. Bonds1

About 4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine

4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 163858317) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine
PubChem CID163858317
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine
SMILESc1ccc2c(c1)NCCC2N1CCOc2ccccc21
InChIInChI=1S/C17H18N2O/c1-2-6-14-13(5-1)15(9-10-18-14)19-11-12-20-17-8-4-3-7-16(17)19/h1-8,15,18H,9-12H2
InChIKeyPAHPBJZCQYYLDS-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 2763760
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 649409
1-(2-Phenoxyphenyl)piperazine
CID 12996705
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
1-(2-((3-Fluorophenoxy)methyl)phenyl)piperazine
CID 45483467
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
1-(2-Methoxyphenyl)-4-(4-phenylbutyl)piperazine
CID 44276571
N-(2-ethoxyphenyl)-3,4-dihydroquinoline-1(2H)-carbothioamide
CID 714721
Dabelotine
CID 177949
1-(2-(2-Fluorobenzyloxy)phenyl)piperazine
CID 45483446

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine (CID 163858317) is 4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine is c1ccc2c(c1)NCCC2N1CCOc2ccccc21.
What is the InChIKey of 4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is PAHPBJZCQYYLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-6-14-13(5-1)15(9-10-18-14)19-11-12-20-17-8-4-3-7-16(17)19/h1-8,15,18H,9-12H2.
What are the key properties of 4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine?
4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 266.34 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 163858317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).