N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C21H15F2N3O2S — CID 42618042

IUPACN-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(F)c1
InChIInChI=1S/C21H15F2N3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27)
InChIKeyPRRWTJDKSYTQRZ-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.42
Rot. Bonds4

About N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 42618042) has the molecular formula C21H15F2N3O2S and a molecular weight of 411.43 g/mol. Its IUPAC name is N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID42618042
Molecular FormulaC21H15F2N3O2S
Molecular Weight411.43 g/mol
Exact Mass411.09
IUPAC NameN-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(F)c1
InChIInChI=1S/C21H15F2N3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27)
InChIKeyPRRWTJDKSYTQRZ-UHFFFAOYSA-N
XLogP4.42
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 42618042) is N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(F)c1.
What is the InChIKey of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PRRWTJDKSYTQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27).
What are the key properties of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42618042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).