N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide

C20H22N3O3+ — CID 9291963

IUPACN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H21N3O3/c24-19-12-15(14-6-1-2-7-16(14)22-19)20(25)21-13-17(18-8-5-11-26-18)23-9-3-4-10-23/h1-2,5-8,11-12,17H,3-4,9-10,13H2,(H,21,25)(H,22,24)/p+1/t17-/m0/s1
InChIKeyRXBMNVXOCZQDEE-KRWDZBQOSA-O
MW352.41 g/mol
LogP1.27
Rot. Bonds5

About N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 9291963) has the molecular formula C20H22N3O3+ and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID9291963
Molecular FormulaC20H22N3O3+
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H21N3O3/c24-19-12-15(14-6-1-2-7-16(14)22-19)20(25)21-13-17(18-8-5-11-26-18)23-9-3-4-10-23/h1-2,5-8,11-12,17H,3-4,9-10,13H2,(H,21,25)(H,22,24)/p+1/t17-/m0/s1
InChIKeyRXBMNVXOCZQDEE-KRWDZBQOSA-O
XLogP1.27
TPSA79.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542030
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7944532
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide
CID 2470246
N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 28934807
N-[2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42893716
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 27230253
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9266520
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3,5-dimethoxybenzamide
CID 9404067
3,4,5-triethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 7972668
N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7780251
N-[2-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 2565002
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27761173

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 9291963) is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide is O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is RXBMNVXOCZQDEE-KRWDZBQOSA-O. The full InChI is InChI=1S/C20H21N3O3/c24-19-12-15(14-6-1-2-7-16(14)22-19)20(25)21-13-17(18-8-5-11-26-18)23-9-3-4-10-23/h1-2,5-8,11-12,17H,3-4,9-10,13H2,(H,21,25)(H,22,24)/p+1/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 9291963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).