4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide

C22H23N5O3 — CID 55702331

IUPAC4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C22H23N5O3/c28-20(25-12-15-7-8-19(24-11-15)27-9-3-4-10-27)14-26-22(30)17-13-23-18-6-2-1-5-16(18)21(17)29/h1-2,5-8,11,13H,3-4,9-10,12,14H2,(H,23,29)(H,25,28)(H,26,30)
InChIKeyAUMMVEUDWZRXBT-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.57
Rot. Bonds6

About 4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide

4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide (PubChem CID 55702331) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide
PubChem CID55702331
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C22H23N5O3/c28-20(25-12-15-7-8-19(24-11-15)27-9-3-4-10-27)14-26-22(30)17-13-23-18-6-2-1-5-16(18)21(17)29/h1-2,5-8,11,13H,3-4,9-10,12,14H2,(H,23,29)(H,25,28)(H,26,30)
InChIKeyAUMMVEUDWZRXBT-UHFFFAOYSA-N
XLogP1.57
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 55702746
2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
CID 30832263
N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60506475
4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 38762920
N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55830677
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55847321
N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60508476
3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
CID 38529032
2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 30832005
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide (CID 55702331) is 4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide is O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide?
The InChIKey is AUMMVEUDWZRXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-20(25-12-15-7-8-19(24-11-15)27-9-3-4-10-27)14-26-22(30)17-13-23-18-6-2-1-5-16(18)21(17)29/h1-2,5-8,11,13H,3-4,9-10,12,14H2,(H,23,29)(H,25,28)(H,26,30).
What are the key properties of 4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide?
4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55702331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).