N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide

C20H20N4O2 — CID 41492842

IUPACN-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C20H20N4O2/c1-2-9-22-19(25)13-23-20(26)16-12-18(14-7-10-21-11-8-14)24-17-6-4-3-5-15(16)17/h3-8,10-12H,2,9,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyDAXLBXCTERRILW-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.55
Rot. Bonds6

About N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 41492842) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID41492842
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C20H20N4O2/c1-2-9-22-19(25)13-23-20(26)16-12-18(14-7-10-21-11-8-14)24-17-6-4-3-5-15(16)17/h3-8,10-12H,2,9,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyDAXLBXCTERRILW-UHFFFAOYSA-N
XLogP2.55
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
CID 9163082
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 24542876
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 25337304
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4302865

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 41492842) is N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide is CCCNC(=O)CNC(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is DAXLBXCTERRILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-9-22-19(25)13-23-20(26)16-12-18(14-7-10-21-11-8-14)24-17-6-4-3-5-15(16)17/h3-8,10-12H,2,9,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 41492842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).