6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C15H19N3O2 — CID 95475622

IUPAC6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)N3CCCNCC3)ccc2N1
InChIInChI=1S/C15H19N3O2/c19-14-5-3-11-10-12(2-4-13(11)17-14)15(20)18-8-1-6-16-7-9-18/h2,4,10,16H,1,3,5-9H2,(H,17,19)
InChIKeyDUWNIQRCLAGAHD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.01
Rot. Bonds1

About 6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95475622) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID95475622
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)N3CCCNCC3)ccc2N1
InChIInChI=1S/C15H19N3O2/c19-14-5-3-11-10-12(2-4-13(11)17-14)15(20)18-8-1-6-16-7-9-18/h2,4,10,16H,1,3,5-9H2,(H,17,19)
InChIKeyDUWNIQRCLAGAHD-UHFFFAOYSA-N
XLogP1.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 13369863
6-(3-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577687
6-(3-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103605924
6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110807504
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 119414334
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
6-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 78850215
6-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110815253
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 102711615
4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813513

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 95475622) is 6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)N3CCCNCC3)ccc2N1.
What is the InChIKey of 6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DUWNIQRCLAGAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14-5-3-11-10-12(2-4-13(11)17-14)15(20)18-8-1-6-16-7-9-18/h2,4,10,16H,1,3,5-9H2,(H,17,19).
What are the key properties of 6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95475622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).