2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C21H20FN5O2 — CID 69450112

IUPAC2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1nc(-c2cc(F)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)cnc1C
InChIInChI=1S/C21H20FN5O2/c1-10-19-16(27-21(23)25-10)6-12(7-18(19)28)14-5-4-13(22)8-15(14)17-9-24-11(2)20(26-17)29-3/h4-5,8-9,12H,6-7H2,1-3H3,(H2,23,25,27)
InChIKeySLTAZFBWVQVRNB-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.19
Rot. Bonds3

About 2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 69450112) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID69450112
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1nc(-c2cc(F)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)cnc1C
InChIInChI=1S/C21H20FN5O2/c1-10-19-16(27-21(23)25-10)6-12(7-18(19)28)14-5-4-13(22)8-15(14)17-9-24-11(2)20(26-17)29-3/h4-5,8-9,12H,6-7H2,1-3H3,(H2,23,25,27)
InChIKeySLTAZFBWVQVRNB-UHFFFAOYSA-N
XLogP3.19
TPSA103.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450194
2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69451789
2-amino-7-[2-(2-chloro-4-methoxypyrimidin-5-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 87839785
(7S)-2-amino-7-[2-(5-amino-6-methoxy-3-methylpyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69453582
2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 87838008
(7S)-2-amino-7-[4-fluoro-2-(3-methylimidazo[4,5-b]pyrazin-5-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69449502
(7R)-2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58882217
2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69449507
2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 71210204
2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 58269405
2-amino-7-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69457038
2-[[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]guanidine
CID 68629309

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 69450112) is 2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is COc1nc(-c2cc(F)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)cnc1C.
What is the InChIKey of 2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is SLTAZFBWVQVRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-10-19-16(27-21(23)25-10)6-12(7-18(19)28)14-5-4-13(22)8-15(14)17-9-24-11(2)20(26-17)29-3/h4-5,8-9,12H,6-7H2,1-3H3,(H2,23,25,27).
What are the key properties of 2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 393.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 69450112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).