1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one

C11H14ClN3O — CID 84629565

IUPAC1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
SMILESNCCN1CCC(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C11H14ClN3O/c12-8-1-2-10-9(7-8)14-11(16)3-5-15(10)6-4-13/h1-2,7H,3-6,13H2,(H,14,16)
InChIKeyRLQSXHVCWOGWKW-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.45
Rot. Bonds2

About 1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one

1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one (PubChem CID 84629565) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
PubChem CID84629565
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
SMILESNCCN1CCC(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C11H14ClN3O/c12-8-1-2-10-9(7-8)14-11(16)3-5-15(10)6-4-13/h1-2,7H,3-6,13H2,(H,14,16)
InChIKeyRLQSXHVCWOGWKW-UHFFFAOYSA-N
XLogP1.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropyl)-7-ethyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84632876
1-(2-aminoethyl)-7-chloro-5-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 84635046
1-(2-aminoethyl)-6-chloro-8-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84635071
2-(6-chloro-2,3-dihydroindol-1-yl)ethanamine
CID 10198073
2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde
CID 83849997
5-(2-aminoethyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 84627563
1-(2-aminoethyl)-6,8-dimethyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84627555
5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 84627546
1-(2-aminoethyl)-6-bromo-8-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84644485
5-(3-aminopropyl)-7-chloro-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
CID 84640561
2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine
CID 84629586
N-(3-aminopropyl)-1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 119407918

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The IUPAC name of 1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one (CID 84629565) is 1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one.
What is the SMILES notation for 1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The canonical SMILES for 1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one is NCCN1CCC(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The InChIKey is RLQSXHVCWOGWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-8-1-2-10-9(7-8)14-11(16)3-5-15(10)6-4-13/h1-2,7H,3-6,13H2,(H,14,16).
What are the key properties of 1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one has a molecular weight of 239.71 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one is sourced from PubChem (CID 84629565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).