N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C19H24N2O2 — CID 98620829

IUPACN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H24N2O2/c1-11(16-9-12-2-3-13(16)8-12)20-19(23)15-4-6-17-14(10-15)5-7-18(22)21-17/h4,6,10-13,16H,2-3,5,7-9H2,1H3,(H,20,23)(H,21,22)/t11-,12-,13-,16-/m0/s1
InChIKeyHWIXGTMIDPYTFK-QCQGSNGOSA-N
MW312.41 g/mol
LogP3.13
Rot. Bonds3

About N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 98620829) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID98620829
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H24N2O2/c1-11(16-9-12-2-3-13(16)8-12)20-19(23)15-4-6-17-14(10-15)5-7-18(22)21-17/h4,6,10-13,16H,2-3,5,7-9H2,1H3,(H,20,23)(H,21,22)/t11-,12-,13-,16-/m0/s1
InChIKeyHWIXGTMIDPYTFK-QCQGSNGOSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43325579
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
2-oxo-N-(1-piperidin-3-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119474020
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 129429156
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 146193051
N-(2-methyl-1-phenylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24625536
3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 102553283
2-oxo-N-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103726730
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
CID 166368495
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 64524412
(2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710665
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide
CID 98289837

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 98620829) is N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is C[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is HWIXGTMIDPYTFK-QCQGSNGOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-11(16-9-12-2-3-13(16)8-12)20-19(23)15-4-6-17-14(10-15)5-7-18(22)21-17/h4,6,10-13,16H,2-3,5,7-9H2,1H3,(H,20,23)(H,21,22)/t11-,12-,13-,16-/m0/s1.
What are the key properties of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 98620829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).