1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol

C19H22N2O2 — CID 145332518

IUPAC1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol
SMILESCCC(O)COc1ccc2c(c1)CCCC(c1cccnc1)=N2
InChIInChI=1S/C19H22N2O2/c1-2-16(22)13-23-17-8-9-19-14(11-17)5-3-7-18(21-19)15-6-4-10-20-12-15/h4,6,8-12,16,22H,2-3,5,7,13H2,1H3
InChIKeyVRXWKLVYEGSPQO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.69
Rot. Bonds5

About 1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol

1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol (PubChem CID 145332518) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol.

Molecular Properties

Compound Name1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol
PubChem CID145332518
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol
SMILESCCC(O)COc1ccc2c(c1)CCCC(c1cccnc1)=N2
InChIInChI=1S/C19H22N2O2/c1-2-16(22)13-23-17-8-9-19-14(11-17)5-3-7-18(21-19)15-6-4-10-20-12-15/h4,6,8-12,16,22H,2-3,5,7,13H2,1H3
InChIKeyVRXWKLVYEGSPQO-UHFFFAOYSA-N
XLogP3.69
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol with MolForge

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 62041508
1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-ol
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5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878
1-(3-methylphenoxy)butan-2-ol
CID 13089920
(2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629003
6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 109415774
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol
CID 43166218
1-(4-ethylpiperazin-1-yl)-3-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45208391
1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 60609546
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 762913
1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 60883271
1-[4-(2-fluoroethoxy)phenoxy]-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol
CID 71474505

Frequently Asked Questions

What is the IUPAC name of 1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol?
The IUPAC name of 1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol (CID 145332518) is 1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol.
What is the SMILES notation for 1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol?
The canonical SMILES for 1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol is CCC(O)COc1ccc2c(c1)CCCC(c1cccnc1)=N2.
What is the InChIKey of 1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol?
The InChIKey is VRXWKLVYEGSPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-16(22)13-23-17-8-9-19-14(11-17)5-3-7-18(21-19)15-6-4-10-20-12-15/h4,6,8-12,16,22H,2-3,5,7,13H2,1H3.
What are the key properties of 1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol?
1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol has a molecular weight of 310.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-pyridin-3-yl-4,5-dihydro-3H-1-benzazepin-7-yl)oxy]butan-2-ol is sourced from PubChem (CID 145332518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).