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

C21H27N3O3 — CID 110807504

IUPAC6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)N3CCCN(C(=O)C4CCCC4)CC3)ccc2N1
InChIInChI=1S/C21H27N3O3/c25-19-9-7-16-14-17(6-8-18(16)22-19)21(27)24-11-3-10-23(12-13-24)20(26)15-4-1-2-5-15/h6,8,14-15H,1-5,7,9-13H2,(H,22,25)
InChIKeyRGNZJONYDSHKMK-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.44
Rot. Bonds2

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

6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 110807504) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID110807504
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)N3CCCN(C(=O)C4CCCC4)CC3)ccc2N1
InChIInChI=1S/C21H27N3O3/c25-19-9-7-16-14-17(6-8-18(16)22-19)21(27)24-11-3-10-23(12-13-24)20(26)15-4-1-2-5-15/h6,8,14-15H,1-5,7,9-13H2,(H,22,25)
InChIKeyRGNZJONYDSHKMK-UHFFFAOYSA-N
XLogP2.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
6-(3-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103605924
6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95475622
6-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 78850215
cyclobutyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110809284
6-(2-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13369760
6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160672
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813513
7-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 110803809
cyclopropyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806430
6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103806132

Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 110807504) is 6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)N3CCCN(C(=O)C4CCCC4)CC3)ccc2N1.
What is the InChIKey of 6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RGNZJONYDSHKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-19-9-7-16-14-17(6-8-18(16)22-19)21(27)24-11-3-10-23(12-13-24)20(26)15-4-1-2-5-15/h6,8,14-15H,1-5,7,9-13H2,(H,22,25).
What are the key properties of 6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 369.47 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 110807504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).