N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide

C18H21N3O2 — CID 10086797

IUPACN-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(=O)[nH]c3ccccc13)C2
InChIInChI=1S/C18H21N3O2/c1-21-12-6-7-13(21)9-11(8-12)19-18(23)15-10-17(22)20-16-5-3-2-4-14(15)16/h2-5,10-13H,6-9H2,1H3,(H,19,23)(H,20,22)/t11?,12-,13+
InChIKeyUFYDVRVTAXIMBS-YHWZYXNKSA-N
MW311.38 g/mol
LogP1.88
Rot. Bonds2

About N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide

N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 10086797) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID10086797
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(=O)[nH]c3ccccc13)C2
InChIInChI=1S/C18H21N3O2/c1-21-12-6-7-13(21)9-11(8-12)19-18(23)15-10-17(22)20-16-5-3-2-4-14(15)16/h2-5,10-13H,6-9H2,1H3,(H,19,23)(H,20,22)/t11?,12-,13+
InChIKeyUFYDVRVTAXIMBS-YHWZYXNKSA-N
XLogP1.88
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119457477
2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94694746
N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 97308523
2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide
CID 25475206
(E)-but-2-enedioic acid;4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-3-carboxamide
CID 54681511
N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 52910543
N-(2-methylpiperidin-3-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 114695048
N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
CID 61038006
trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 124703895
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 38208260
3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide
CID 54290724

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 10086797) is N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide is CN1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(=O)[nH]c3ccccc13)C2.
What is the InChIKey of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is UFYDVRVTAXIMBS-YHWZYXNKSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21-12-6-7-13(21)9-11(8-12)19-18(23)15-10-17(22)20-16-5-3-2-4-14(15)16/h2-5,10-13H,6-9H2,1H3,(H,19,23)(H,20,22)/t11?,12-,13+.
What are the key properties of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 10086797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).