ethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate

C24H26FN3O4S — CID 46832216

IUPACethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)/C(=N/OC)CCS4)c(F)cc2c1=O
InChIInChI=1S/C24H26FN3O4S/c1-3-32-24(30)17-13-28(14-4-5-14)20-11-21(18(25)10-15(20)23(17)29)27-8-6-22-16(12-27)19(26-31-2)7-9-33-22/h10-11,13-14H,3-9,12H2,1-2H3/b26-19+
InChIKeyDDYOVFQRKSPUFC-LGUFXXKBSA-N
MW471.55 g/mol
LogP4.26
Rot. Bonds5

About ethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate

ethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate (PubChem CID 46832216) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate
PubChem CID46832216
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC Nameethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)/C(=N/OC)CCS4)c(F)cc2c1=O
InChIInChI=1S/C24H26FN3O4S/c1-3-32-24(30)17-13-28(14-4-5-14)20-11-21(18(25)10-15(20)23(17)29)27-8-6-22-16(12-27)19(26-31-2)7-9-33-22/h10-11,13-14H,3-9,12H2,1-2H3/b26-19+
InChIKeyDDYOVFQRKSPUFC-LGUFXXKBSA-N
XLogP4.26
TPSA73.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylic acid
CID 46832490
1-cyclopropyl-6-fluoro-7-(3-methyl-4-oxo-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl)-4-oxoquinoline-3-carboxylic acid
CID 46832220
ethyl 1-cyclopropyl-6-fluoro-7-(4-hexadecylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
CID 118588725
ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate
CID 10337378
ethyl 1-cyclopropyl-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxoquinoline-3-carboxylate
CID 11724246
ethyl 1-cyclopropyl-6-fluoro-7-[(E)-3-hydroxyprop-1-enyl]-4-oxoquinoline-3-carboxylate
CID 10065267
propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 155405950
cyanomethyl 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 7762016
1-cyclopropyl-7-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 13337935
ethyl 1-cyclopropyl-6,8-difluoro-7-iodo-4-oxoquinoline-3-carboxylate
CID 10669733
ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 11046932
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-N-methoxy-N-methyl-4-oxoquinoline-3-carboxamide
CID 176957523

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate (CID 46832216) is ethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)/C(=N/OC)CCS4)c(F)cc2c1=O.
What is the InChIKey of ethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate?
The InChIKey is DDYOVFQRKSPUFC-LGUFXXKBSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c1-3-32-24(30)17-13-28(14-4-5-14)20-11-21(18(25)10-15(20)23(17)29)27-8-6-22-16(12-27)19(26-31-2)7-9-33-22/h10-11,13-14H,3-9,12H2,1-2H3/b26-19+.
What are the key properties of ethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate?
ethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate has a molecular weight of 471.55 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-6-fluoro-7-[(4E)-4-methoxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 46832216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).