N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide

C20H15FN4O3S — CID 166199491

IUPACN-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide
SMILESCc1ccc(-c2csc(=O)n2CC(=O)Nc2cc3c(=O)[nH]cnc3cc2F)cc1
InChIInChI=1S/C20H15FN4O3S/c1-11-2-4-12(5-3-11)17-9-29-20(28)25(17)8-18(26)24-16-6-13-15(7-14(16)21)22-10-23-19(13)27/h2-7,9-10H,8H2,1H3,(H,24,26)(H,22,23,27)
InChIKeyBTUYGZBEMNUXAL-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.90
Rot. Bonds4

About N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide

N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide (PubChem CID 166199491) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide
PubChem CID166199491
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC NameN-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide
SMILESCc1ccc(-c2csc(=O)n2CC(=O)Nc2cc3c(=O)[nH]cnc3cc2F)cc1
InChIInChI=1S/C20H15FN4O3S/c1-11-2-4-12(5-3-11)17-9-29-20(28)25(17)8-18(26)24-16-6-13-15(7-14(16)21)22-10-23-19(13)27/h2-7,9-10H,8H2,1H3,(H,24,26)(H,22,23,27)
InChIKeyBTUYGZBEMNUXAL-UHFFFAOYSA-N
XLogP2.90
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide
CID 154805740
N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-(2-methoxyphenyl)acetamide
CID 135903572
7-fluoro-6-(methylamino)-3H-quinazolin-4-one
CID 146792791
2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768197
(2S)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methylsulfanylbutanamide
CID 136849071
N-(2-amino-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43287065
N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide
CID 16592486
4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
CID 43358586
N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86920042
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47289704
N-(4-ethylphenyl)-2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 75463858
3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one
CID 82027849

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide?
The IUPAC name of N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide (CID 166199491) is N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide.
What is the SMILES notation for N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide?
The canonical SMILES for N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide is Cc1ccc(-c2csc(=O)n2CC(=O)Nc2cc3c(=O)[nH]cnc3cc2F)cc1.
What is the InChIKey of N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide?
The InChIKey is BTUYGZBEMNUXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c1-11-2-4-12(5-3-11)17-9-29-20(28)25(17)8-18(26)24-16-6-13-15(7-14(16)21)22-10-23-19(13)27/h2-7,9-10H,8H2,1H3,(H,24,26)(H,22,23,27).
What are the key properties of N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide?
N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide has a molecular weight of 410.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide is sourced from PubChem (CID 166199491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).