6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one

C14H18N4O3 — CID 102986194

IUPAC6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESN[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])NC(=O)CC3)C1
InChIInChI=1S/C14H18N4O3/c15-10-2-1-5-17(8-10)12-6-9-3-4-14(19)16-11(9)7-13(12)18(20)21/h6-7,10H,1-5,8,15H2,(H,16,19)/t10-/m1/s1
InChIKeyXPQYMIOCHKHEPI-SNVBAGLBSA-N
MW290.32 g/mol
LogP1.41
Rot. Bonds2

About 6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one

6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 102986194) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one
PubChem CID102986194
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESN[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])NC(=O)CC3)C1
InChIInChI=1S/C14H18N4O3/c15-10-2-1-5-17(8-10)12-6-9-3-4-14(19)16-11(9)7-13(12)18(20)21/h6-7,10H,1-5,8,15H2,(H,16,19)/t10-/m1/s1
InChIKeyXPQYMIOCHKHEPI-SNVBAGLBSA-N
XLogP1.41
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-aminopiperidin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43556906
6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
CID 102986412
6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 10947089
6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 133326272
1-(4,5-dimethoxy-2-nitrophenyl)piperidin-3-amine
CID 83007937
1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine
CID 66101647
(3R)-1-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 102985903
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate
CID 46810430
6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 133455662
(3S,4S)-1-(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122064068
6-(cyclohexylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43427172
6-(cyclopropylmethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449824

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one (CID 102986194) is 6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one is N[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])NC(=O)CC3)C1.
What is the InChIKey of 6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XPQYMIOCHKHEPI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N4O3/c15-10-2-1-5-17(8-10)12-6-9-3-4-14(19)16-11(9)7-13(12)18(20)21/h6-7,10H,1-5,8,15H2,(H,16,19)/t10-/m1/s1.
What are the key properties of 6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one?
6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 290.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 102986194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).