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

C18H22N4O3 — CID 120556070

IUPACN-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC1CNCCC1NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H22N4O3/c1-11-8-19-7-6-14(11)22-16(23)10-21-18(25)13-9-20-15-5-3-2-4-12(15)17(13)24/h2-5,9,11,14,19H,6-8,10H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyJFROAVCOSDNWCR-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.37
Rot. Bonds4

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

N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 120556070) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID120556070
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC1CNCCC1NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H22N4O3/c1-11-8-19-7-6-14(11)22-16(23)10-21-18(25)13-9-20-15-5-3-2-4-12(15)17(13)24/h2-5,9,11,14,19H,6-8,10H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyJFROAVCOSDNWCR-UHFFFAOYSA-N
XLogP0.37
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 120555735
N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 51946290
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
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-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60506475
3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide
CID 120555666
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8606559
N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 87017576
N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60508476
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 94815210

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 120556070) is N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is CC1CNCCC1NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is JFROAVCOSDNWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11-8-19-7-6-14(11)22-16(23)10-21-18(25)13-9-20-15-5-3-2-4-12(15)17(13)24/h2-5,9,11,14,19H,6-8,10H2,1H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.37, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 120556070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).