3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one

C19H16FN7O2 — CID 39005114

IUPAC3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one
SMILESCOc1ccccc1Nc1nc(N)nc(Cn2cnc3cc(F)ccc3c2=O)n1
InChIInChI=1S/C19H16FN7O2/c1-29-15-5-3-2-4-13(15)23-19-25-16(24-18(21)26-19)9-27-10-22-14-8-11(20)6-7-12(14)17(27)28/h2-8,10H,9H2,1H3,(H3,21,23,24,25,26)
InChIKeyJLLAEEPKZPRBKK-UHFFFAOYSA-N
MW393.38 g/mol
LogP2.10
Rot. Bonds5

About 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one

3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one (PubChem CID 39005114) has the molecular formula C19H16FN7O2 and a molecular weight of 393.38 g/mol. Its IUPAC name is 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one
PubChem CID39005114
Molecular FormulaC19H16FN7O2
Molecular Weight393.38 g/mol
Exact Mass393.13
IUPAC Name3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one
SMILESCOc1ccccc1Nc1nc(N)nc(Cn2cnc3cc(F)ccc3c2=O)n1
InChIInChI=1S/C19H16FN7O2/c1-29-15-5-3-2-4-13(15)23-19-25-16(24-18(21)26-19)9-27-10-22-14-8-11(20)6-7-12(14)17(27)28/h2-8,10H,9H2,1H3,(H3,21,23,24,25,26)
InChIKeyJLLAEEPKZPRBKK-UHFFFAOYSA-N
XLogP2.10
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one with MolForge

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Related Compounds

3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one
CID 8005584
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one
CID 18099398
3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one
CID 38963152
7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one
CID 18099412
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
6-[[(4-ethylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 26300445
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol
CID 46630872
(5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 95786035
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 46641840
6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 96538160

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one?
The IUPAC name of 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one (CID 39005114) is 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one.
What is the SMILES notation for 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one?
The canonical SMILES for 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one is COc1ccccc1Nc1nc(N)nc(Cn2cnc3cc(F)ccc3c2=O)n1.
What is the InChIKey of 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one?
The InChIKey is JLLAEEPKZPRBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O2/c1-29-15-5-3-2-4-13(15)23-19-25-16(24-18(21)26-19)9-27-10-22-14-8-11(20)6-7-12(14)17(27)28/h2-8,10H,9H2,1H3,(H3,21,23,24,25,26).
What are the key properties of 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one?
3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one has a molecular weight of 393.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one is sourced from PubChem (CID 39005114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).