8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one

C18H20FN3O3 — CID 135099621

IUPAC8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one
SMILESCN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cc(=O)c3cccc(F)c3[nH]1)C2
InChIInChI=1S/C18H20FN3O3/c1-21-6-11-7-22(12(8-21)10-25-9-11)18(24)15-5-16(23)13-3-2-4-14(19)17(13)20-15/h2-5,11-12H,6-10H2,1H3,(H,20,23)/t11-,12-/m0/s1
InChIKeyQRHQZTBWBYOGLC-RYUDHWBXSA-N
MW345.37 g/mol
LogP1.07
Rot. Bonds1

About 8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one

8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one (PubChem CID 135099621) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one
PubChem CID135099621
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one
SMILESCN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cc(=O)c3cccc(F)c3[nH]1)C2
InChIInChI=1S/C18H20FN3O3/c1-21-6-11-7-22(12(8-21)10-25-9-11)18(24)15-5-16(23)13-3-2-4-14(19)17(13)20-15/h2-5,11-12H,6-10H2,1H3,(H,20,23)/t11-,12-/m0/s1
InChIKeyQRHQZTBWBYOGLC-RYUDHWBXSA-N
XLogP1.07
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4S,9aR)-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-8-fluoro-1H-quinolin-4-one
CID 134699805
2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one
CID 74238408
(3-chlorophenyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 135103883
2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-8-fluoro-1H-quinolin-4-one
CID 138381000
6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one
CID 135107759
(4-fluoro-3-methoxyphenyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 135107346
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-thiophen-2-ylmethanone
CID 135089744
[3-(4-hydroxyphenyl)phenyl]-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 135090809
(1S,5S)-N-(4-fluorophenyl)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carboxamide
CID 155916622
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(3-methyl-2-pyridinyl)methanone
CID 155918315
3-fluoro-5-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]benzonitrile
CID 135097085
2-(3-methoxyphenoxy)-1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]ethanone
CID 135114395

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one (CID 135099621) is 8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one is CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cc(=O)c3cccc(F)c3[nH]1)C2.
What is the InChIKey of 8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one?
The InChIKey is QRHQZTBWBYOGLC-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-21-6-11-7-22(12(8-21)10-25-9-11)18(24)15-5-16(23)13-3-2-4-14(19)17(13)20-15/h2-5,11-12H,6-10H2,1H3,(H,20,23)/t11-,12-/m0/s1.
What are the key properties of 8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one?
8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one has a molecular weight of 345.37 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 135099621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).