N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C18H23N3O2 — CID 94026325

IUPACN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)N[C@H]3CCN4CCCC[C@H]34)ccc2N1
InChIInChI=1S/C18H23N3O2/c22-17-7-5-12-11-13(4-6-14(12)19-17)18(23)20-15-8-10-21-9-2-1-3-16(15)21/h4,6,11,15-16H,1-3,5,7-10H2,(H,19,22)(H,20,23)/t15-,16+/m0/s1
InChIKeyYFBWICFXXKNYDL-JKSUJKDBSA-N
MW313.40 g/mol
LogP1.93
Rot. Bonds2

About N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 94026325) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID94026325
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)N[C@H]3CCN4CCCC[C@H]34)ccc2N1
InChIInChI=1S/C18H23N3O2/c22-17-7-5-12-11-13(4-6-14(12)19-17)18(23)20-15-8-10-21-9-2-1-3-16(15)21/h4,6,11,15-16H,1-3,5,7-10H2,(H,19,22)(H,20,23)/t15-,16+/m0/s1
InChIKeyYFBWICFXXKNYDL-JKSUJKDBSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide 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-oxo-N-[(3S)-piperidin-3-yl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103866615
N-cyclopentyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39896851
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)naphthalene-2-carboxamide
CID 75414949
N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103605870
2-oxo-N-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103726730
6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160672
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methylsulfanylbenzamide
CID 78876366
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-fluoro-3-sulfanylbenzamide
CID 107025814
N-[2-(cycloheptylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 119619891
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-sulfanylbenzamide
CID 107025894
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide
CID 47036307
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-chlorobenzamide
CID 94121435

Frequently Asked Questions

What is the IUPAC name of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 94026325) is N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)N[C@H]3CCN4CCCC[C@H]34)ccc2N1.
What is the InChIKey of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is YFBWICFXXKNYDL-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17-7-5-12-11-13(4-6-14(12)19-17)18(23)20-15-8-10-21-9-2-1-3-16(15)21/h4,6,11,15-16H,1-3,5,7-10H2,(H,19,22)(H,20,23)/t15-,16+/m0/s1.
What are the key properties of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 94026325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).