4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide

C20H14FN3OS — CID 162634998

IUPAC4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cscn1)c1ccc(-c2cnc3cc(F)ccc3c2)cc1
InChIInChI=1S/C20H14FN3OS/c21-17-6-5-15-7-16(9-22-19(15)8-17)13-1-3-14(4-2-13)20(25)23-10-18-11-26-12-24-18/h1-9,11-12H,10H2,(H,23,25)
InChIKeyVWHXZPFUMJSTJU-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.43
Rot. Bonds4

About 4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide

4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 162634998) has the molecular formula C20H14FN3OS and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID162634998
Molecular FormulaC20H14FN3OS
Molecular Weight363.42 g/mol
Exact Mass363.08
IUPAC Name4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cscn1)c1ccc(-c2cnc3cc(F)ccc3c2)cc1
InChIInChI=1S/C20H14FN3OS/c21-17-6-5-15-7-16(9-22-19(15)8-17)13-1-3-14(4-2-13)20(25)23-10-18-11-26-12-24-18/h1-9,11-12H,10H2,(H,23,25)
InChIKeyVWHXZPFUMJSTJU-UHFFFAOYSA-N
XLogP4.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 162634998) is 4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide is O=C(NCc1cscn1)c1ccc(-c2cnc3cc(F)ccc3c2)cc1.
What is the InChIKey of 4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is VWHXZPFUMJSTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3OS/c21-17-6-5-15-7-16(9-22-19(15)8-17)13-1-3-14(4-2-13)20(25)23-10-18-11-26-12-24-18/h1-9,11-12H,10H2,(H,23,25).
What are the key properties of 4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide?
4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoroquinolin-3-yl)-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 162634998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).