N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C20H28N4O3 — CID 146193051

IUPACN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C20H28N4O3/c1-12(21)20(27)24-9-7-14(8-10-24)13(2)22-19(26)16-3-5-17-15(11-16)4-6-18(25)23-17/h3,5,11-14H,4,6-10,21H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyZJWIWRBJWKUZRA-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.28
Rot. Bonds4

About N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 146193051) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID146193051
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C20H28N4O3/c1-12(21)20(27)24-9-7-14(8-10-24)13(2)22-19(26)16-3-5-17-15(11-16)4-6-18(25)23-17/h3,5,11-14H,4,6-10,21H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyZJWIWRBJWKUZRA-UHFFFAOYSA-N
XLogP1.28
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide
CID 146193092
2-oxo-N-(1-piperidin-3-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119474020
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide
CID 146193182
N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide
CID 118946467
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 98620829
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide
CID 146193124
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 146193082
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 146193165
N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261
N-(2-methyl-1-phenylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24625536
6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103806132
N-[(1R)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 81385612

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 146193051) is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is ZJWIWRBJWKUZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-12(21)20(27)24-9-7-14(8-10-24)13(2)22-19(26)16-3-5-17-15(11-16)4-6-18(25)23-17/h3,5,11-14H,4,6-10,21H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 146193051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).