ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate

C19H23N3O3 — CID 10337378

IUPACethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2cc(N3CCCC3)c(N)cc2c1=O
InChIInChI=1S/C19H23N3O3/c1-2-25-19(24)14-11-22(12-5-6-12)16-10-17(21-7-3-4-8-21)15(20)9-13(16)18(14)23/h9-12H,2-8,20H2,1H3
InChIKeyAKNWBWNYWFDEOZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.70
Rot. Bonds4

About ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate

ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate (PubChem CID 10337378) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate
PubChem CID10337378
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2cc(N3CCCC3)c(N)cc2c1=O
InChIInChI=1S/C19H23N3O3/c1-2-25-19(24)14-11-22(12-5-6-12)16-10-17(21-7-3-4-8-21)15(20)9-13(16)18(14)23/h9-12H,2-8,20H2,1H3
InChIKeyAKNWBWNYWFDEOZ-UHFFFAOYSA-N
XLogP2.70
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-cyclopropyl-6-fluoro-7-(4-hexadecylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
CID 118588725
ethyl 1-cyclopentyl-7-iodo-4-oxoquinoline-3-carboxylate
CID 19081667
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
ethyl 1-cyclopropyl-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxoquinoline-3-carboxylate
CID 11724246
ethyl 1-cyclopropyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-6-nitro-4-oxoquinoline-3-carboxylate
CID 11237216
6-amino-7-[4-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 10451597
ethyl 1-cyclopropyl-6-fluoro-7-[(E)-3-hydroxyprop-1-enyl]-4-oxoquinoline-3-carboxylate
CID 10065267
1-cyclopropyl-7-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 13337935
propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 155405950
(2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate
CID 46861147
ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate
CID 141190210
ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate
CID 123582149

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate (CID 10337378) is ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate is CCOC(=O)c1cn(C2CC2)c2cc(N3CCCC3)c(N)cc2c1=O.
What is the InChIKey of ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate?
The InChIKey is AKNWBWNYWFDEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-25-19(24)14-11-22(12-5-6-12)16-10-17(21-7-3-4-8-21)15(20)9-13(16)18(14)23/h9-12H,2-8,20H2,1H3.
What are the key properties of ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate?
ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate is sourced from PubChem (CID 10337378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).