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

C20H18FN5O2 — CID 69451789

IUPAC2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cncc(-c2cc(F)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)n1
InChIInChI=1S/C20H18FN5O2/c1-10-19-15(26-20(22)24-10)5-11(6-17(19)27)13-4-3-12(21)7-14(13)16-8-23-9-18(25-16)28-2/h3-4,7-9,11H,5-6H2,1-2H3,(H2,22,24,26)
InChIKeyRSVBMWIASXJPTA-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.88
Rot. Bonds3

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

2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 69451789) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID69451789
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cncc(-c2cc(F)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)n1
InChIInChI=1S/C20H18FN5O2/c1-10-19-15(26-20(22)24-10)5-11(6-17(19)27)13-4-3-12(21)7-14(13)16-8-23-9-18(25-16)28-2/h3-4,7-9,11H,5-6H2,1-2H3,(H2,22,24,26)
InChIKeyRSVBMWIASXJPTA-UHFFFAOYSA-N
XLogP2.88
TPSA103.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 87838008
2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450112
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-[2-fluoro-6-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69457038
(7R)-2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-6-(2-methylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 57424890
(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-(2-chloro-4-methoxypyrimidin-5-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 87839785
2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69449507
(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-6-[(2,4-dimethoxyphenyl)methyl]-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 57424864
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 69451789) is 2-amino-7-[4-fluoro-2-(6-methoxypyrazin-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-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is COc1cncc(-c2cc(F)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)n1.
What is the InChIKey of 2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is RSVBMWIASXJPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-10-19-15(26-20(22)24-10)5-11(6-17(19)27)13-4-3-12(21)7-14(13)16-8-23-9-18(25-16)28-2/h3-4,7-9,11H,5-6H2,1-2H3,(H2,22,24,26).
What are the key properties of 2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 379.40 g/mol, XLogP of 2.88, 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-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 69451789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).