4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C24H23FN4O3S — CID 175557034

IUPAC4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCCOc1cc2nc(C)sc2cc1CNC(=O)c1cc2c3c(c(N)nc2cc1F)C(C)OC3
InChIInChI=1S/C24H23FN4O3S/c1-4-31-20-8-19-21(33-12(3)28-19)5-13(20)9-27-24(30)15-6-14-16-10-32-11(2)22(16)23(26)29-18(14)7-17(15)25/h5-8,11H,4,9-10H2,1-3H3,(H2,26,29)(H,27,30)
InChIKeyNEMSGBKWOZJCBY-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.79
Rot. Bonds5

About 4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 175557034) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is 4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID175557034
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC Name4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCCOc1cc2nc(C)sc2cc1CNC(=O)c1cc2c3c(c(N)nc2cc1F)C(C)OC3
InChIInChI=1S/C24H23FN4O3S/c1-4-31-20-8-19-21(33-12(3)28-19)5-13(20)9-27-24(30)15-6-14-16-10-32-11(2)22(16)23(26)29-18(14)7-17(15)25/h5-8,11H,4,9-10H2,1-3H3,(H2,26,29)(H,27,30)
InChIKeyNEMSGBKWOZJCBY-UHFFFAOYSA-N
XLogP4.79
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 175557034) is 4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CCOc1cc2nc(C)sc2cc1CNC(=O)c1cc2c3c(c(N)nc2cc1F)C(C)OC3.
What is the InChIKey of 4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is NEMSGBKWOZJCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-4-31-20-8-19-21(33-12(3)28-19)5-13(20)9-27-24(30)15-6-14-16-10-32-11(2)22(16)23(26)29-18(14)7-17(15)25/h5-8,11H,4,9-10H2,1-3H3,(H2,26,29)(H,27,30).
What are the key properties of 4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-ethoxy-2-methyl-1,3-benzothiazol-6-yl)methyl]-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 175557034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).