1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one

C14H16N4O — CID 104601300

IUPAC1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one
SMILESNN1CCCN(Cc2ccnc3ccccc23)C1=O
InChIInChI=1S/C14H16N4O/c15-18-9-3-8-17(14(18)19)10-11-6-7-16-13-5-2-1-4-12(11)13/h1-2,4-7H,3,8-10,15H2
InChIKeyKYGWKFPWTBZDGK-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.74
Rot. Bonds2

About 1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one

1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one (PubChem CID 104601300) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one
PubChem CID104601300
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one
SMILESNN1CCCN(Cc2ccnc3ccccc23)C1=O
InChIInChI=1S/C14H16N4O/c15-18-9-3-8-17(14(18)19)10-11-6-7-16-13-5-2-1-4-12(11)13/h1-2,4-7H,3,8-10,15H2
InChIKeyKYGWKFPWTBZDGK-UHFFFAOYSA-N
XLogP1.74
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-(quinolin-4-ylmethyl)piperidin-4-one
CID 79235169
1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione
CID 79240641
4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-2-one
CID 168703096
N-(quinolin-4-ylmethyl)piperidin-1-amine
CID 83006979
1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one
CID 104601207
5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride
CID 168712231
1-amino-3-[(2-chloro-3-fluorophenyl)methyl]-1,3-diazinan-2-one
CID 113431480
1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine
CID 79231157
3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one
CID 79235393
[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362
4-(pyrrol-1-ylmethyl)quinoline
CID 79240222

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one (CID 104601300) is 1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one is NN1CCCN(Cc2ccnc3ccccc23)C1=O.
What is the InChIKey of 1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one?
The InChIKey is KYGWKFPWTBZDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-18-9-3-8-17(14(18)19)10-11-6-7-16-13-5-2-1-4-12(11)13/h1-2,4-7H,3,8-10,15H2.
What are the key properties of 1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one?
1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 104601300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).