1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione

C15H15N3O2 — CID 79240641

IUPAC1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(Cc2ccnc3ccccc23)C(=O)CN1
InChIInChI=1S/C15H15N3O2/c19-14-6-8-18(15(20)9-17-14)10-11-5-7-16-13-4-2-1-3-12(11)13/h1-5,7H,6,8-10H2,(H,17,19)
InChIKeyZXHPPTPWYJMBIO-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.08
Rot. Bonds2

About 1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione

1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione (PubChem CID 79240641) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione
PubChem CID79240641
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(Cc2ccnc3ccccc23)C(=O)CN1
InChIInChI=1S/C15H15N3O2/c19-14-6-8-18(15(20)9-17-14)10-11-5-7-16-13-4-2-1-3-12(11)13/h1-5,7H,6,8-10H2,(H,17,19)
InChIKeyZXHPPTPWYJMBIO-UHFFFAOYSA-N
XLogP1.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(quinolin-4-ylmethyl)piperidin-4-one
CID 79235169
1-quinolin-5-yl-1,4-diazepane-2,5-dione
CID 64956527
4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-2-one
CID 168703096
1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one
CID 104601300
6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid
CID 79231197
1-[(4-fluorophenyl)methyl]-1,4-diazepane-2,5-dione
CID 64883955
1-[(4-ethylphenyl)methyl]-1,4-diazepane-2,5-dione
CID 64881823
1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine
CID 79231157
5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride
CID 168712231
3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one
CID 79235393
4-(pyrrol-1-ylmethyl)quinoline
CID 79240222
1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione
CID 81435951

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione (CID 79240641) is 1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione is O=C1CCN(Cc2ccnc3ccccc23)C(=O)CN1.
What is the InChIKey of 1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione?
The InChIKey is ZXHPPTPWYJMBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-14-6-8-18(15(20)9-17-14)10-11-5-7-16-13-4-2-1-3-12(11)13/h1-5,7H,6,8-10H2,(H,17,19).
What are the key properties of 1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione?
1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione has a molecular weight of 269.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 79240641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).