N-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide

C21H26N4O3 — CID 143294446

IUPACN-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide
SMILESCC(=O)CCC(=O)N1CCC(N(C)c2cnc3ccccc3c2NC=O)CC1
InChIInChI=1S/C21H26N4O3/c1-15(27)7-8-20(28)25-11-9-16(10-12-25)24(2)19-13-22-18-6-4-3-5-17(18)21(19)23-14-26/h3-6,13-14,16H,7-12H2,1-2H3,(H,22,23,26)
InChIKeyLPSOAXGPVSSSFO-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.60
Rot. Bonds7

About N-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide

N-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide (PubChem CID 143294446) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide.

Molecular Properties

Compound NameN-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide
PubChem CID143294446
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide
SMILESCC(=O)CCC(=O)N1CCC(N(C)c2cnc3ccccc3c2NC=O)CC1
InChIInChI=1S/C21H26N4O3/c1-15(27)7-8-20(28)25-11-9-16(10-12-25)24(2)19-13-22-18-6-4-3-5-17(18)21(19)23-14-26/h3-6,13-14,16H,7-12H2,1-2H3,(H,22,23,26)
InChIKeyLPSOAXGPVSSSFO-UHFFFAOYSA-N
XLogP2.60
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,7-bis[4-[1,3-benzothiazol-2-yl(methyl)amino]piperidin-1-yl]heptane-1,7-dione
CID 59031007
3-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119623819
2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-oxopentanoyl)piperidin-4-yl]propanamide
CID 108551680
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 56780017
1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 136579513
N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 136578286
4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
CID 55090979
4-[[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]quinoline-3-carbonitrile
CID 133354904
[4-[(2S)-2-formyl-4-[4-[formyl-[4-(methylamino)quinolin-3-yl]amino]piperidin-1-yl]hex-4-enyl]-2,6-dimethylphenyl] formate
CID 143294566
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one
CID 60849367

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide?
The IUPAC name of N-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide (CID 143294446) is N-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide.
What is the SMILES notation for N-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide?
The canonical SMILES for N-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide is CC(=O)CCC(=O)N1CCC(N(C)c2cnc3ccccc3c2NC=O)CC1.
What is the InChIKey of N-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide?
The InChIKey is LPSOAXGPVSSSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15(27)7-8-20(28)25-11-9-16(10-12-25)24(2)19-13-22-18-6-4-3-5-17(18)21(19)23-14-26/h3-6,13-14,16H,7-12H2,1-2H3,(H,22,23,26).
What are the key properties of N-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide?
N-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide has a molecular weight of 382.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[1-(4-oxopentanoyl)piperidin-4-yl]amino]quinolin-4-yl]formamide is sourced from PubChem (CID 143294446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).