4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide

C24H22FN3O2S — CID 122431851

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3nccs3)ccc12
InChIInChI=1S/C24H22FN3O2S/c1-2-30-22-15-20(16-5-8-18(25)9-6-16)28-21-14-17(7-10-19(21)22)24(29)27-11-3-4-23-26-12-13-31-23/h5-10,12-15H,2-4,11H2,1H3,(H,27,29)
InChIKeyINXRNEABTVRXGK-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.26
Rot. Bonds8

About 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide

4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide (PubChem CID 122431851) has the molecular formula C24H22FN3O2S and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide
PubChem CID122431851
Molecular FormulaC24H22FN3O2S
Molecular Weight435.52 g/mol
Exact Mass435.14
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3nccs3)ccc12
InChIInChI=1S/C24H22FN3O2S/c1-2-30-22-15-20(16-5-8-18(25)9-6-16)28-21-14-17(7-10-19(21)22)24(29)27-11-3-4-23-26-12-13-31-23/h5-10,12-15H,2-4,11H2,1H3,(H,27,29)
InChIKeyINXRNEABTVRXGK-UHFFFAOYSA-N
XLogP5.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2,4-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 156013465
n-(2-Methyl-5-1,3-thiazol-2-yl-phenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 67379418
N-{2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl}quinoline-5-carboxamide
CID 134303578
N-{2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl}quinoline-5-carboxamide
CID 134303630
N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl}quinoline-5-carboxamide
CID 134303688
2-Ethoxy-N-(2-methyl-5-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)benzamide
CID 3283143
N-ethyl-7-(3-{[(2-fluoro-5-methylphenyl)amino]carbonyl}phenoxy)thieno[3,2-b]pyridine-2-carboxamide
CID 86290417
N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 86290418
US9828369, Example 64
CID 118916564
4-ethoxy-2-(4-fluorophenyl)-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)quinoline-7-carboxamide
CID 122431384
4-ethoxy-2-(4-fluorophenyl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 122431404
4-ethoxy-2-(4-fluorophenyl)-N-[3-(6-methyl-3-pyridinyl)propyl]quinoline-7-carboxamide
CID 122431580

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide (CID 122431851) is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3nccs3)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide?
The InChIKey is INXRNEABTVRXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2S/c1-2-30-22-15-20(16-5-8-18(25)9-6-16)28-21-14-17(7-10-19(21)22)24(29)27-11-3-4-23-26-12-13-31-23/h5-10,12-15H,2-4,11H2,1H3,(H,27,29).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).