3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one

C15H19N3O2 — CID 136774510

IUPAC3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
SMILESC/C(=N\[C@@H](C)CN)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C15H19N3O2/c1-9(8-16)17-10(2)13-14(19)11-6-4-5-7-12(11)18(3)15(13)20/h4-7,9,19H,8,16H2,1-3H3/b17-10+/t9-/m0/s1
InChIKeyLHIZWIYPDYGAGH-LHEXSIKESA-N
MW273.34 g/mol
LogP1.40
Rot. Bonds3

About 3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one

3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one (PubChem CID 136774510) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
PubChem CID136774510
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
SMILESC/C(=N\[C@@H](C)CN)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C15H19N3O2/c1-9(8-16)17-10(2)13-14(19)11-6-4-5-7-12(11)18(3)15(13)20/h4-7,9,19H,8,16H2,1-3H3/b17-10+/t9-/m0/s1
InChIKeyLHIZWIYPDYGAGH-LHEXSIKESA-N
XLogP1.40
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[N-[(2R)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 136774511
3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
CID 135454306
4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1-methylquinolin-2-one
CID 136914834
4-hydroxy-3-(N-hydroxy-C-methylcarbonimidoyl)-1-methylquinolin-2-one
CID 135419029
3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135401324
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea
CID 135482677
3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135482666
4-hydroxy-1-methyl-3-[C-methyl-N-(4-nitrophenyl)carbonimidoyl]quinolin-2-one
CID 135496935
(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 54681675
1-[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]-3-phenylthiourea
CID 135482678
3-[(3S)-3-amino-3-(2-hydroxyphenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54747504

Frequently Asked Questions

What is the IUPAC name of 3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one (CID 136774510) is 3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one is C/C(=N\[C@@H](C)CN)c1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of 3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is LHIZWIYPDYGAGH-LHEXSIKESA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(8-16)17-10(2)13-14(19)11-6-4-5-7-12(11)18(3)15(13)20/h4-7,9,19H,8,16H2,1-3H3/b17-10+/t9-/m0/s1.
What are the key properties of 3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one?
3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 136774510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).