5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one

C20H15FN4O4 — CID 97044038

IUPAC5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one
SMILESCOc1cc2c(Oc3[nH]c(=O)ncc3F)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C20H15FN4O4/c1-27-16-7-13-15(8-17(16)28-10-12-5-3-2-4-6-12)23-11-24-18(13)29-19-14(21)9-22-20(26)25-19/h2-9,11H,10H2,1H3,(H,22,25,26)
InChIKeyRWWYADCNFFFQNB-UHFFFAOYSA-N
MW394.36 g/mol
LogP3.23
Rot. Bonds6

About 5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one

5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one (PubChem CID 97044038) has the molecular formula C20H15FN4O4 and a molecular weight of 394.36 g/mol. Its IUPAC name is 5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one
PubChem CID97044038
Molecular FormulaC20H15FN4O4
Molecular Weight394.36 g/mol
Exact Mass394.11
IUPAC Name5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one
SMILESCOc1cc2c(Oc3[nH]c(=O)ncc3F)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C20H15FN4O4/c1-27-16-7-13-15(8-17(16)28-10-12-5-3-2-4-6-12)23-11-24-18(13)29-19-14(21)9-22-20(26)25-19/h2-9,11H,10H2,1H3,(H,22,25,26)
InChIKeyRWWYADCNFFFQNB-UHFFFAOYSA-N
XLogP3.23
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane
CID 177004461
4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 175856632
5,13-dimethoxy-10-methyl-4,14-bis(phenylmethoxy)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
CID 135025053
4-chloro-3-isocyano-7-methoxy-6-phenylmethoxyquinoline
CID 155636883
1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea
CID 164900895
N-(2-bromo-4-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine
CID 141250948
5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one
CID 18959450
benzyl 5-[[4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-yl]oxymethyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 90727752

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one (CID 97044038) is 5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one is COc1cc2c(Oc3[nH]c(=O)ncc3F)ncnc2cc1OCc1ccccc1.
What is the InChIKey of 5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one?
The InChIKey is RWWYADCNFFFQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O4/c1-27-16-7-13-15(8-17(16)28-10-12-5-3-2-4-6-12)23-11-24-18(13)29-19-14(21)9-22-20(26)25-19/h2-9,11H,10H2,1H3,(H,22,25,26).
What are the key properties of 5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one?
5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one has a molecular weight of 394.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one is sourced from PubChem (CID 97044038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).