2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C21H20FN5O3 — CID 69450194

IUPAC2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ncc(-c2cc(F)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)nc1OC
InChIInChI=1S/C21H20FN5O3/c1-10-18-15(27-21(23)25-10)6-11(7-17(18)28)13-5-4-12(22)8-14(13)16-9-24-19(29-2)20(26-16)30-3/h4-5,8-9,11H,6-7H2,1-3H3,(H2,23,25,27)
InChIKeyHVEBHNVHOIZJJH-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.89
Rot. Bonds4

About 2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 69450194) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is 2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID69450194
Molecular FormulaC21H20FN5O3
Molecular Weight409.42 g/mol
Exact Mass409.16
IUPAC Name2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ncc(-c2cc(F)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)nc1OC
InChIInChI=1S/C21H20FN5O3/c1-10-18-15(27-21(23)25-10)6-11(7-17(18)28)13-5-4-12(22)8-14(13)16-9-24-19(29-2)20(26-16)30-3/h4-5,8-9,11H,6-7H2,1-3H3,(H2,23,25,27)
InChIKeyHVEBHNVHOIZJJH-UHFFFAOYSA-N
XLogP2.89
TPSA113.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 69450194) is 2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is COc1ncc(-c2cc(F)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)nc1OC.
What is the InChIKey of 2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is HVEBHNVHOIZJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3/c1-10-18-15(27-21(23)25-10)6-11(7-17(18)28)13-5-4-12(22)8-14(13)16-9-24-19(29-2)20(26-16)30-3/h4-5,8-9,11H,6-7H2,1-3H3,(H2,23,25,27).
What are the key properties of 2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 409.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 69450194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).