3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one

C18H19N3O3 — CID 56709463

IUPAC3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one
SMILESCN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H19N3O3/c1-20-10-13-7-6-12(9-16(20)22)21(13)18(24)14-8-11-4-2-3-5-15(11)19-17(14)23/h2-5,8,12-13H,6-7,9-10H2,1H3,(H,19,23)/t12-,13+/m1/s1
InChIKeyJQIKLCMVOINCQN-OLZOCXBDSA-N
MW325.37 g/mol
LogP1.36
Rot. Bonds1

About 3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one

3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one (PubChem CID 56709463) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one
PubChem CID56709463
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one
SMILESCN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H19N3O3/c1-20-10-13-7-6-12(9-16(20)22)21(13)18(24)14-8-11-4-2-3-5-15(11)19-17(14)23/h2-5,8,12-13H,6-7,9-10H2,1H3,(H,19,23)/t12-,13+/m1/s1
InChIKeyJQIKLCMVOINCQN-OLZOCXBDSA-N
XLogP1.36
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(1R,6S)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one
CID 155567626
2-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-4-one
CID 56720066
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119518541
3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 57329601
N-(1-methyl-5-oxopyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 110474030
(1S,6R)-3-methyl-9-(2-methyl-1-benzofuran-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 138055514
(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122115205
3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 94026029
3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119396572
3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 119650109
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one (CID 56709463) is 3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one is CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one?
The InChIKey is JQIKLCMVOINCQN-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-20-10-13-7-6-12(9-16(20)22)21(13)18(24)14-8-11-4-2-3-5-15(11)19-17(14)23/h2-5,8,12-13H,6-7,9-10H2,1H3,(H,19,23)/t12-,13+/m1/s1.
What are the key properties of 3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one?
3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one has a molecular weight of 325.37 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,6R)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 56709463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).