11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine

C14H19ClN2 — CID 58494621

IUPAC11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine
SMILESCN1CCCc2cc3c(c(Cl)c21)CCNCC3
InChIInChI=1S/C14H19ClN2/c1-17-8-2-3-11-9-10-4-6-16-7-5-12(10)13(15)14(11)17/h9,16H,2-8H2,1H3
InChIKeySAKRYKQRSHEMDV-UHFFFAOYSA-N
MW250.77 g/mol
LogP2.41
Rot. Bonds

About 11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine

11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine (PubChem CID 58494621) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine.

Molecular Properties

Compound Name11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine
PubChem CID58494621
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine
SMILESCN1CCCc2cc3c(c(Cl)c21)CCNCC3
InChIInChI=1S/C14H19ClN2/c1-17-8-2-3-11-9-10-4-6-16-7-5-12(10)13(15)14(11)17/h9,16H,2-8H2,1H3
InChIKeySAKRYKQRSHEMDV-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine?
The IUPAC name of 11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine (CID 58494621) is 11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine.
What is the SMILES notation for 11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine?
The canonical SMILES for 11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine is CN1CCCc2cc3c(c(Cl)c21)CCNCC3.
What is the InChIKey of 11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine?
The InChIKey is SAKRYKQRSHEMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-17-8-2-3-11-9-10-4-6-16-7-5-12(10)13(15)14(11)17/h9,16H,2-8H2,1H3.
What are the key properties of 11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine?
11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine has a molecular weight of 250.77 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine is sourced from PubChem (CID 58494621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).