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

C18H19N3O3 — CID 155567626

IUPAC3-[(1R,6S)-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+/m0/s1
InChIKeyJQIKLCMVOINCQN-QWHCGFSZSA-N
MW325.37 g/mol
LogP1.36
Rot. Bonds1

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

3-[(1R,6S)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one (PubChem CID 155567626) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[(1R,6S)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1R,6S)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one
PubChem CID155567626
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[(1R,6S)-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+/m0/s1
InChIKeyJQIKLCMVOINCQN-QWHCGFSZSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,6S)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(1R,6S)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one (CID 155567626) is 3-[(1R,6S)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1R,6S)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(1R,6S)-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-[(1R,6S)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one?
The InChIKey is JQIKLCMVOINCQN-QWHCGFSZSA-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+/m0/s1.
What are the key properties of 3-[(1R,6S)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one?
3-[(1R,6S)-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-[(1R,6S)-3-methyl-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 155567626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).