6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

C20H26N4O4 — CID 133326272

IUPAC6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([N+](=O)[O-])c(N3CCC(CN4CCCCC4=O)CC3)cc2N1
InChIInChI=1S/C20H26N4O4/c25-19-5-4-15-11-18(24(27)28)17(12-16(15)21-19)22-9-6-14(7-10-22)13-23-8-2-1-3-20(23)26/h11-12,14H,1-10,13H2,(H,21,25)
InChIKeyLQFXYWCEFLCMRK-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.71
Rot. Bonds4

About 6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 133326272) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID133326272
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([N+](=O)[O-])c(N3CCC(CN4CCCCC4=O)CC3)cc2N1
InChIInChI=1S/C20H26N4O4/c25-19-5-4-15-11-18(24(27)28)17(12-16(15)21-19)22-9-6-14(7-10-22)13-23-8-2-1-3-20(23)26/h11-12,14H,1-10,13H2,(H,21,25)
InChIKeyLQFXYWCEFLCMRK-UHFFFAOYSA-N
XLogP2.71
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-(4-aminopiperidin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43556906
1-[[1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidin-2-one
CID 133326280
6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 102986194
6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 133455662
1-[[1-(2-chloro-4-nitrophenyl)piperidin-4-yl]methyl]piperidin-2-one
CID 133326242
6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
CID 63267531
6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 10947089
6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
CID 102986412
(3S,4S)-1-(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122064068
7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 66881586
7-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 112840612
5-nitro-2-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133326344

Frequently Asked Questions

What is the IUPAC name of 6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (CID 133326272) is 6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc([N+](=O)[O-])c(N3CCC(CN4CCCCC4=O)CC3)cc2N1.
What is the InChIKey of 6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LQFXYWCEFLCMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c25-19-5-4-15-11-18(24(27)28)17(12-16(15)21-19)22-9-6-14(7-10-22)13-23-8-2-1-3-20(23)26/h11-12,14H,1-10,13H2,(H,21,25).
What are the key properties of 6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 386.45 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 133326272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).