1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

C14H17N3O4 — CID 60839961

IUPAC1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCC(=O)NNC(=O)CN1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C14H17N3O4/c1-9(18)15-16-13(19)8-17-7-3-5-10-11(14(20)21)4-2-6-12(10)17/h2,4,6H,3,5,7-8H2,1H3,(H,15,18)(H,16,19)(H,20,21)
InChIKeyCOEINSFVYPUVPF-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.30
Rot. Bonds3

About 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 60839961) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID60839961
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCC(=O)NNC(=O)CN1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C14H17N3O4/c1-9(18)15-16-13(19)8-17-7-3-5-10-11(14(20)21)4-2-6-12(10)17/h2,4,6H,3,5,7-8H2,1H3,(H,15,18)(H,16,19)(H,20,21)
InChIKeyCOEINSFVYPUVPF-UHFFFAOYSA-N
XLogP0.30
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60840475
1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 54926085
1-[2-(azetidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839962
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 56828575
1-(2-bromoprop-2-enyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60873220
1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 80695916
1-[(E)-but-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60840478
1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78866067
1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 106454610
1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60858133
1-[2-(4-chloroanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598332
1-[(3-methylpyrazin-2-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 167806762

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 60839961) is 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid is CC(=O)NNC(=O)CN1CCCc2c(C(=O)O)cccc21.
What is the InChIKey of 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is COEINSFVYPUVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9(18)15-16-13(19)8-17-7-3-5-10-11(14(20)21)4-2-6-12(10)17/h2,4,6H,3,5,7-8H2,1H3,(H,15,18)(H,16,19)(H,20,21).
What are the key properties of 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 60839961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).