1-quinolin-5-yl-1,4-diazepane-2,5-dione

C14H13N3O2 — CID 64956527

IUPAC1-quinolin-5-yl-1,4-diazepane-2,5-dione
SMILESO=C1CCN(c2cccc3ncccc23)C(=O)CN1
InChIInChI=1S/C14H13N3O2/c18-13-6-8-17(14(19)9-16-13)12-5-1-4-11-10(12)3-2-7-15-11/h1-5,7H,6,8-9H2,(H,16,18)
InChIKeyUMJRNEZNZGLVEP-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.09
Rot. Bonds1

About 1-quinolin-5-yl-1,4-diazepane-2,5-dione

1-quinolin-5-yl-1,4-diazepane-2,5-dione (PubChem CID 64956527) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-quinolin-5-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-quinolin-5-yl-1,4-diazepane-2,5-dione
PubChem CID64956527
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-quinolin-5-yl-1,4-diazepane-2,5-dione
SMILESO=C1CCN(c2cccc3ncccc23)C(=O)CN1
InChIInChI=1S/C14H13N3O2/c18-13-6-8-17(14(19)9-16-13)12-5-1-4-11-10(12)3-2-7-15-11/h1-5,7H,6,8-9H2,(H,16,18)
InChIKeyUMJRNEZNZGLVEP-UHFFFAOYSA-N
XLogP1.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione
CID 79043608
1-naphthalen-1-yl-1,4-diazepane-2,5-dione
CID 64956427
1-(2,3-dimethylphenyl)-1,4-diazepane-2,5-dione
CID 64958545
1-(2-bromophenyl)-1,4-diazepane-2,5-dione
CID 64962319
1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione
CID 79240641
4-chloro-1-quinolin-5-ylpyrrolidin-2-one
CID 168689584
4-quinolin-5-yl-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62898605
5-pyrrolidin-1-ylquinoline
CID 118731129
5-piperazin-1-ylquinoline
CID 10656226
5-piperidin-1-ylquinoline
CID 12887802
3-quinolin-5-yl-1H-benzimidazol-2-one
CID 146175427
1-(2,3,4-trifluorophenyl)-1,4-diazepane-2,5-dione
CID 64956628

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-5-yl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-quinolin-5-yl-1,4-diazepane-2,5-dione (CID 64956527) is 1-quinolin-5-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-quinolin-5-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-quinolin-5-yl-1,4-diazepane-2,5-dione is O=C1CCN(c2cccc3ncccc23)C(=O)CN1.
What is the InChIKey of 1-quinolin-5-yl-1,4-diazepane-2,5-dione?
The InChIKey is UMJRNEZNZGLVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-13-6-8-17(14(19)9-16-13)12-5-1-4-11-10(12)3-2-7-15-11/h1-5,7H,6,8-9H2,(H,16,18).
What are the key properties of 1-quinolin-5-yl-1,4-diazepane-2,5-dione?
1-quinolin-5-yl-1,4-diazepane-2,5-dione has a molecular weight of 255.28 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-5-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64956527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).