4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol

C19H19ClN2O — CID 163857329

IUPAC4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol
SMILESOC1C=c2c(Cl)cc(N3CCCc4ccccc4C3)nc2=CC1
InChIInChI=1S/C19H19ClN2O/c20-17-11-19(21-18-8-7-15(23)10-16(17)18)22-9-3-6-13-4-1-2-5-14(13)12-22/h1-2,4-5,8,10-11,15,23H,3,6-7,9,12H2
InChIKeyOZKZAOYOQMUWHC-UHFFFAOYSA-N
MW326.83 g/mol
LogP2.01
Rot. Bonds1

About 4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol

4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol (PubChem CID 163857329) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol.

Molecular Properties

Compound Name4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol
PubChem CID163857329
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol
SMILESOC1C=c2c(Cl)cc(N3CCCc4ccccc4C3)nc2=CC1
InChIInChI=1S/C19H19ClN2O/c20-17-11-19(21-18-8-7-15(23)10-16(17)18)22-9-3-6-13-4-1-2-5-14(13)12-22/h1-2,4-5,8,10-11,15,23H,3,6-7,9,12H2
InChIKeyOZKZAOYOQMUWHC-UHFFFAOYSA-N
XLogP2.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol?
The IUPAC name of 4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol (CID 163857329) is 4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol.
What is the SMILES notation for 4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol?
The canonical SMILES for 4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol is OC1C=c2c(Cl)cc(N3CCCc4ccccc4C3)nc2=CC1.
What is the InChIKey of 4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol?
The InChIKey is OZKZAOYOQMUWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-17-11-19(21-18-8-7-15(23)10-16(17)18)22-9-3-6-13-4-1-2-5-14(13)12-22/h1-2,4-5,8,10-11,15,23H,3,6-7,9,12H2.
What are the key properties of 4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol?
4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol has a molecular weight of 326.83 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6,7-dihydroquinolin-6-ol is sourced from PubChem (CID 163857329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).