1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride

C13H16ClN3O2 — CID 168870506

IUPAC1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride
SMILESCl.O=C1CCN(c2ccc3c(c2)CNCC3)C(=O)N1
InChIInChI=1S/C13H15N3O2.ClH/c17-12-4-6-16(13(18)15-12)11-2-1-9-3-5-14-8-10(9)7-11;/h1-2,7,14H,3-6,8H2,(H,15,17,18);1H
InChIKeyVUKKAZKSXAPDQJ-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.20
Rot. Bonds1

About 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride

1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride (PubChem CID 168870506) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride
PubChem CID168870506
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride
SMILESCl.O=C1CCN(c2ccc3c(c2)CNCC3)C(=O)N1
InChIInChI=1S/C13H15N3O2.ClH/c17-12-4-6-16(13(18)15-12)11-2-1-9-3-5-14-8-10(9)7-11;/h1-2,7,14H,3-6,8H2,(H,15,17,18);1H
InChIKeyVUKKAZKSXAPDQJ-UHFFFAOYSA-N
XLogP1.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione
CID 163231111
7-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 170350197
1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione
CID 169002972
1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride
CID 170914337
1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167775992
1-(2-methyl-3-oxo-1H-isoindol-5-yl)-1,3-diazinane-2,4-dione
CID 163231144
1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride
CID 68824082
1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167776784
1-(4-iodophenyl)-1,3-diazinane-2,4-dione
CID 73172247
7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 82582743
N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide
CID 170737594
1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione
CID 166552762

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride?
The IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride (CID 168870506) is 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride?
The canonical SMILES for 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride is Cl.O=C1CCN(c2ccc3c(c2)CNCC3)C(=O)N1.
What is the InChIKey of 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride?
The InChIKey is VUKKAZKSXAPDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2.ClH/c17-12-4-6-16(13(18)15-12)11-2-1-9-3-5-14-8-10(9)7-11;/h1-2,7,14H,3-6,8H2,(H,15,17,18);1H.
What are the key properties of 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride?
1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride has a molecular weight of 281.74 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride is sourced from PubChem (CID 168870506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).