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

C22H18FN3O3S — CID 42618045

IUPACN-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(N(Cc2cc(=O)[nH]c3c(F)cccc23)C(=O)c2scnc2C)c1
InChIInChI=1S/C22H18FN3O3S/c1-13-21(30-12-24-13)22(28)26(15-5-3-6-16(10-15)29-2)11-14-9-19(27)25-20-17(14)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27)
InChIKeyDQWWNWAMOMECBK-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.29
Rot. Bonds5

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

N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 42618045) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID42618045
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC NameN-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(N(Cc2cc(=O)[nH]c3c(F)cccc23)C(=O)c2scnc2C)c1
InChIInChI=1S/C22H18FN3O3S/c1-13-21(30-12-24-13)22(28)26(15-5-3-6-16(10-15)29-2)11-14-9-19(27)25-20-17(14)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27)
InChIKeyDQWWNWAMOMECBK-UHFFFAOYSA-N
XLogP4.29
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 42618045) is N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-methoxyphenyl)-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-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1cccc(N(Cc2cc(=O)[nH]c3c(F)cccc23)C(=O)c2scnc2C)c1.
What is the InChIKey of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DQWWNWAMOMECBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c1-13-21(30-12-24-13)22(28)26(15-5-3-6-16(10-15)29-2)11-14-9-19(27)25-20-17(14)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27).
What are the key properties of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42618045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).