4-(quinoline-4-carbonyl)-1,4-diazepan-2-one

C15H15N3O2 — CID 78918249

IUPAC4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2ccnc3ccccc23)CCCN1
InChIInChI=1S/C15H15N3O2/c19-14-10-18(9-3-7-17-14)15(20)12-6-8-16-13-5-2-1-4-11(12)13/h1-2,4-6,8H,3,7,9-10H2,(H,17,19)
InChIKeyNWCMYFCRQYBWCX-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.20
Rot. Bonds1

About 4-(quinoline-4-carbonyl)-1,4-diazepan-2-one

4-(quinoline-4-carbonyl)-1,4-diazepan-2-one (PubChem CID 78918249) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(quinoline-4-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
PubChem CID78918249
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2ccnc3ccccc23)CCCN1
InChIInChI=1S/C15H15N3O2/c19-14-10-18(9-3-7-17-14)15(20)12-6-8-16-13-5-2-1-4-11(12)13/h1-2,4-6,8H,3,7,9-10H2,(H,17,19)
InChIKeyNWCMYFCRQYBWCX-UHFFFAOYSA-N
XLogP1.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(quinoline-4-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(quinoline-4-carbonyl)-1,4-diazepan-2-one (CID 78918249) is 4-(quinoline-4-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(quinoline-4-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(quinoline-4-carbonyl)-1,4-diazepan-2-one is O=C1CN(C(=O)c2ccnc3ccccc23)CCCN1.
What is the InChIKey of 4-(quinoline-4-carbonyl)-1,4-diazepan-2-one?
The InChIKey is NWCMYFCRQYBWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-14-10-18(9-3-7-17-14)15(20)12-6-8-16-13-5-2-1-4-11(12)13/h1-2,4-6,8H,3,7,9-10H2,(H,17,19).
What are the key properties of 4-(quinoline-4-carbonyl)-1,4-diazepan-2-one?
4-(quinoline-4-carbonyl)-1,4-diazepan-2-one has a molecular weight of 269.30 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinoline-4-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 78918249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).