N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

C18H22N4O3 — CID 119542313

IUPACN-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCNCC1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)C1
InChIInChI=1S/C18H22N4O3/c1-19-8-12-6-7-22(11-12)16(23)10-21-18(25)14-9-20-15-5-3-2-4-13(15)17(14)24/h2-5,9,12,19H,6-8,10-11H2,1H3,(H,20,24)(H,21,25)
InChIKeyXKGJTPSEHYQBNN-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.33
Rot. Bonds5

About N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 119542313) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID119542313
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCNCC1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)C1
InChIInChI=1S/C18H22N4O3/c1-19-8-12-6-7-22(11-12)16(23)10-21-18(25)14-9-20-15-5-3-2-4-13(15)17(14)24/h2-5,9,12,19H,6-8,10-11H2,1H3,(H,20,24)(H,21,25)
InChIKeyXKGJTPSEHYQBNN-UHFFFAOYSA-N
XLogP0.33
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-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

N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 119652095
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119664601
N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55790883
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119469697
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide
CID 95581953
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 95091675
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 51946290
10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119539969
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 119542313) is N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is CNCC1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)C1.
What is the InChIKey of N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is XKGJTPSEHYQBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-19-8-12-6-7-22(11-12)16(23)10-21-18(25)14-9-20-15-5-3-2-4-13(15)17(14)24/h2-5,9,12,19H,6-8,10-11H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 119542313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).